PWWPAtlas
STRUCTURAL BIOLOGY & CHEMICAL EVIDENCEDataset v1.2 · Phase 6D · Comparative experimental recognition environments
Verified 2D molecular structure of UNC8153 Verified 2D molecular structure of UNC8153

Resolved chemical identity

UNC8153

Studied · no deposited PWWP research ligand

Neutral parent/reference identity shown separately from the experimentally assayed preparation; salt, solvent and lot composition not independently established.

NSD2 PWWP1
3 assay / association records1 preparations0 research-ligand PDB entries

No deposited PWWP research-ligand geometry is classified for this preparation in the selected release. Deposition of a buffer/ion is not binding evidence.

Clinical / development status: Not independently curated. A chemical probe classification does not imply medicinal approval.

Identity is separate from preparation

Chemical identity

Stable identity
INCHIKEY:MDIKJIFCQAJLPD-UHFFFAOYSA-N
Full InChIKey
MDIKJIFCQAJLPD-UHFFFAOYSA-N
Source identity status
resolved reference identity
Deposited CCD identifiers
No exact CCD mapping curated
External identifiers
PubChem CID: 168893163
Reference formula
C33H37N5O5
Calculated molecular weight
583.689
Calculated descriptors
cLogP 4.3235 · TPSA 142.86 Ų · HBD 4 · HBA 6RDKit 2025.09.3; calculations for this source identity, not experimental measurements.
Depiction validation
verified smiles full inchikey match
SMILES, InChI & complete identity record
Isomeric SMILES
C1CC1N(CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)NCCCCCCN)C(=O)C4=CC5=C(C=C4)NC(=O)CO5
InChI
InChI=1S/C33H37N5O5/c34-17-3-1-2-4-18-35-31(40)23-9-12-26(13-10-23)36-32(41)24-7-5-22(6-8-24)20-38(27-14-15-27)33(42)25-11-16-28-29(19-25)43-21-30(39)37-28/h5-13,16,19,27H,1-4,14-15,17-18,20-21,34H2,(H,35,40)(H,36,41)(H,37,39)
{
  "aliases": [],
  "bound_pose": false,
  "canonical_smiles": "C1CC1N(CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)NCCCCCCN)C(=O)C4=CC5=C(C=C4)NC(=O)CO5",
  "ccd_ids": [],
  "chemical_id": "INCHIKEY:MDIKJIFCQAJLPD-UHFFFAOYSA-N",
  "clinical_status": "not independently assessed",
  "curation_version": "phase5-1.0.0",
  "external_identifiers": {
    "PubChem CID": "168893163"
  },
  "identity_status": "resolved_reference_identity",
  "identity_verification": "PubChem full neutral-parent identity compared with primary Nie2024 Table1 chemical drawing; preparation salt form retained as unresolved",
  "inchi": "InChI=1S/C33H37N5O5/c34-17-3-1-2-4-18-35-31(40)23-9-12-26(13-10-23)36-32(41)24-7-5-22(6-8-24)20-38(27-14-15-27)33(42)25-11-16-28-29(19-25)43-21-30(39)37-28/h5-13,16,19,27H,1-4,14-15,17-18,20-21,34H2,(H,35,40)(H,36,41)(H,37,39)",
  "inchikey": "MDIKJIFCQAJLPD-UHFFFAOYSA-N",
  "isomeric_smiles": "C1CC1N(CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)NCCCCCCN)C(=O)C4=CC5=C(C=C4)NC(=O)CO5",
  "molecular_formula": "C33H37N5O5",
  "molecular_weight": "583.7",
  "name": "UNC8153",
  "primary_name": "UNC8153",
  "pubchem_cid": "168893163",
  "retrieval_date": "2026-10-26",
  "smiles": "C1CC1N(CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C(=O)NCCCCCCN)C(=O)C4=CC5=C(C=C4)NC(=O)CO5",
  "source_url": "https://pubchem.ncbi.nlm.nih.gov/compound/168893163",
  "source_urls": [
    "https://pubchem.ncbi.nlm.nih.gov/compound/168893163"
  ],
  "version": "phase5.chemical_curation.1.1.0"
}

Measured target and original context

Bioactivity & experimental observations

Download assay CSV

Each row is one source-specific observation. Repeated measurements of this compound are not independent compounds. Direct binding, functional displacement and cellular outcomes retain their distinct endpoints.

PreparationTested target & constructMethod / endpointOriginal observationConditions & uncertaintySource & verification
UNC8153PREP:UNC8153 NSD2 PWWP1
Construct not curatedHomo sapiens		 KdSPR Kddirect binding affinity = 24 ± 7 nM0.024 µM · exact unit conversion
Experimental context
Replicates
Not curated
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
°C
Buffer
Not curated
Conditions
Not curated
Qualification
Original value and uncertainty preserved from later primary-table reprint; original Figure 3 numeric image not separately opened. Original experiment replicate/statistic assignment and construct remain uncurated; this is not a second 2024 experiment.
 PMID:36976643 · 2023NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1
Original observation record
{
  "additional_source_urls": [
    "https://www.nature.com/articles/s41589-024-01660-y/tables/1"
  ],
  "assay_construct_end": null,
  "assay_construct_start": null,
  "assay_context": "purified_domain",
  "assay_organism": "Homo sapiens",
  "assay_record_id": "PWWP5:ASSAY:0009",
  "assay_type": "SPR Kd",
  "assay_value_transferred_to_modeled_stereoisomers": false,
  "ccd_id": null,
  "chemical_id": "INCHIKEY:MDIKJIFCQAJLPD-UHFFFAOYSA-N",
  "compound_name": "UNC8153",
  "conditions": {},
  "domain": "PWWP1",
  "domain_id": "UP:O96028:PWWP1",
  "endpoint": "Kd",
  "evidence_class": "direct_binding_affinity",
  "evidence_location": "Figure 3A; numeric value visually verified in asterisk-marked original-data row of Nie 2024 Table 1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/",
  "gene": "NSD2",
  "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.",
  "is_negative": false,
  "numeric_transcription_status": "source_preserved",
  "numeric_value_inferred_from_structure": false,
  "pdb_id": null,
  "preparation_id": "PREP:UNC8153",
  "protein_id": "UP:O96028",
  "publication_year": 2023,
  "reference_id": "PMID:36976643",
  "remaining_uncertainty": "Original value and uncertainty preserved from later primary-table reprint; original Figure 3 numeric image not separately opened. Original experiment replicate/statistic assignment and construct remain uncurated; this is not a second 2024 experiment.",
  "replicates": null,
  "retrieval_date": "2026-10-26",
  "role": "reported_degrader",
  "source_id": "P5:S:HANLEY2023",
  "source_reported_uncertainty": "7",
  "source_reported_units": "nM",
  "source_reported_value": "24",
  "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1",
  "uncertainty": 7,
  "uncertainty_type": null,
  "uncertainty_uM": 0.007,
  "underlying_measurement_id": "HANLEY2023:UNC8153:SPR",
  "units": "nM",
  "value": 24,
  "value_operator": "=",
  "value_uM": 0.024,
  "verification_level": "primary_source_verified",
  "version": "phase5.chemical_curation.1.1.0"
}
UNC8153PREP:UNC8153 NSD2 · protein-level evidence
Construct not curatedHomo sapiens		 DC50In-cell western degradationcellular protein degradation = 0.35 ± 0.13 µM0.35 µM · exact unit conversion
Experimental context
Replicates
Not curated
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
°C
Buffer
Not curated
Conditions
{'cell_line': 'U2OS', 'duration_hours': 24, 'readout': 'total NSD2 including major long/short isoforms'}
Qualification
Original numerical values and uncertainties are corroborated by the explicitly reused row of Nie 2024 Table 1. Original Figure 3 has multiple statistic/replicate annotations; its numeric panel was not independently opened, so the relevant annotation is left uncurated. No independent 2024 replicate is counted.
 PMID:36976643 · 2023NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1
Original observation record
{
  "additional_source_urls": [
    "https://www.nature.com/articles/s41589-024-01660-y/tables/1"
  ],
  "assay_construct_end": null,
  "assay_construct_start": null,
  "assay_context": "cellular_full_protein",
  "assay_organism": "Homo sapiens",
  "assay_record_id": "PWWP5:ASSAY:0010",
  "assay_type": "In-cell western degradation",
  "assay_value_transferred_to_modeled_stereoisomers": false,
  "ccd_id": null,
  "chemical_id": "INCHIKEY:MDIKJIFCQAJLPD-UHFFFAOYSA-N",
  "compound_name": "UNC8153",
  "conditions": {
    "cell_line": "U2OS",
    "duration_hours": 24,
    "readout": "total NSD2 including major long/short isoforms"
  },
  "domain": null,
  "domain_id": null,
  "endpoint": "DC50",
  "evidence_class": "cellular_protein_degradation",
  "evidence_location": "Results; Figure 3A; reused-data row Nie 2024 Table 1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/",
  "gene": "NSD2",
  "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.",
  "is_negative": false,
  "numeric_transcription_status": "source_preserved",
  "numeric_value_inferred_from_structure": false,
  "pdb_id": null,
  "preparation_id": "PREP:UNC8153",
  "protein_id": "UP:O96028",
  "publication_year": 2023,
  "reference_id": "PMID:36976643",
  "remaining_uncertainty": "Original numerical values and uncertainties are corroborated by the explicitly reused row of Nie 2024 Table 1. Original Figure 3 has multiple statistic/replicate annotations; its numeric panel was not independently opened, so the relevant annotation is left uncurated. No independent 2024 replicate is counted.",
  "replicates": null,
  "retrieval_date": "2026-10-26",
  "role": "reported_degrader",
  "source_id": "P5:S:HANLEY2023",
  "source_reported_uncertainty": "0.13",
  "source_reported_units": "\u00b5M",
  "source_reported_value": "0.35",
  "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1",
  "uncertainty": 0.13,
  "uncertainty_type": null,
  "uncertainty_uM": 0.13,
  "underlying_measurement_id": "HANLEY2023:UNC8153:ICW:DC50",
  "units": "\u00b5M",
  "value": 0.35,
  "value_operator": "=",
  "value_uM": 0.35,
  "verification_level": "primary_source_verified",
  "version": "phase5.chemical_curation.1.1.0"
}
UNC8153PREP:UNC8153 NSD2 · protein-level evidence
Construct not curatedHomo sapiens		 DmaxIn-cell western degradationcellular protein degradation = 79 ± 1 percent
Experimental context
Replicates
Not curated
Uncertainty definition
Not curated; do not assume SD or SEM
Temperature
°C
Buffer
Not curated
Conditions
{'cell_line': 'U2OS', 'duration_hours': 24, 'readout': 'total NSD2 including major long/short isoforms'}
Qualification
Original numerical values and uncertainties are corroborated by the explicitly reused row of Nie 2024 Table 1. Original Figure 3 has multiple statistic/replicate annotations; its numeric panel was not independently opened, so the relevant annotation is left uncurated. No independent 2024 replicate is counted.
 PMID:36976643 · 2023NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1
Original observation record
{
  "additional_source_urls": [
    "https://www.nature.com/articles/s41589-024-01660-y/tables/1"
  ],
  "assay_construct_end": null,
  "assay_construct_start": null,
  "assay_context": "cellular_full_protein",
  "assay_organism": "Homo sapiens",
  "assay_record_id": "PWWP5:ASSAY:0011",
  "assay_type": "In-cell western degradation",
  "assay_value_transferred_to_modeled_stereoisomers": false,
  "ccd_id": null,
  "chemical_id": "INCHIKEY:MDIKJIFCQAJLPD-UHFFFAOYSA-N",
  "compound_name": "UNC8153",
  "conditions": {
    "cell_line": "U2OS",
    "duration_hours": 24,
    "readout": "total NSD2 including major long/short isoforms"
  },
  "domain": null,
  "domain_id": null,
  "endpoint": "Dmax",
  "evidence_class": "cellular_protein_degradation",
  "evidence_location": "Figure 3A; reused-data row Nie 2024 Table 1",
  "evidence_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/",
  "gene": "NSD2",
  "inclusion_rationale": "Primary source explicitly identifies this preparation, target context and observation.",
  "is_negative": false,
  "numeric_transcription_status": "source_preserved",
  "numeric_value_inferred_from_structure": false,
  "pdb_id": null,
  "preparation_id": "PREP:UNC8153",
  "protein_id": "UP:O96028",
  "publication_year": 2023,
  "reference_id": "PMID:36976643",
  "remaining_uncertainty": "Original numerical values and uncertainties are corroborated by the explicitly reused row of Nie 2024 Table 1. Original Figure 3 has multiple statistic/replicate annotations; its numeric panel was not independently opened, so the relevant annotation is left uncurated. No independent 2024 replicate is counted.",
  "replicates": null,
  "retrieval_date": "2026-10-26",
  "role": "reported_degrader",
  "source_id": "P5:S:HANLEY2023",
  "source_reported_uncertainty": "1",
  "source_reported_units": "percent",
  "source_reported_value": "79",
  "source_verification_scope": "NCBI BioC primary full text and captions; exact UNC8153 values additionally checked in reused original-data row of Nie 2024 Table 1",
  "uncertainty": 1,
  "uncertainty_type": null,
  "uncertainty_uM": null,
  "underlying_measurement_id": "HANLEY2023:UNC8153:ICW:Dmax",
  "units": "percent",
  "value": 79,
  "value_operator": "=",
  "value_uM": null,
  "verification_level": "primary_source_verified",
  "version": "phase5.chemical_curation.1.1.0"
}

Exact deposited instances

Experimental structures

No verified exact-identity bound structure

The biochemical or cellular evidence remains fully available. No artificial pose has been assigned.

Preparations, identities and controls remain separate

Experimental context

UNC8153

PREP:UNC8153

Neutral parent/reference identity shown separately from the experimentally assayed preparation; salt, solvent and lot composition not independently established.

reported degrader
Complete preparation record
{
  "chemical_id": "INCHIKEY:MDIKJIFCQAJLPD-UHFFFAOYSA-N",
  "clinical_status": "not independently assessed",
  "curation_version": "phase5-1.0.0",
  "entity_type": "small_molecule_preparation",
  "identity_note": "Neutral parent/reference identity shown separately from the experimentally assayed preparation; salt, solvent and lot composition not independently established.",
  "identity_status": "resolved_reference_parent_preparation_form_unresolved",
  "molecular_entity_type": "small_molecule_preparation",
  "name": "UNC8153",
  "phase5_identity_overlay": false,
  "preparation_id": "PREP:UNC8153",
  "retrieval_date": "2026-10-26",
  "role": "reported_degrader",
  "source_id": "P5:S:HANLEY2023",
  "source_url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/",
  "version": "phase5.chemical_curation.1.1.0"
}

Source-supported relationships

RelationshipRelated identity / preparationScopeSource
has negative control forUNC8587matched degradation-study negative controlSource
has reported cellular precursor ofUNC7753Source reports cellular proteolysis; not an interchangeable chemical identitySource

Provenance and reproducibility

Sources & downloads

https://pmc.ncbi.nlm.nih.gov/articles/PMC10116495/https://pubchem.ncbi.nlm.nih.gov/compound/168893163
Download complete evidence JSONCuration methods & source receipts

Snapshot 2026-10-26 · phase5-1.0.0 · original measurements, operators, constructs and uncertainty are retained in the exports.