Resolved chemical identity

3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole

Deposited research ligand · no curated assay

complete_deposited_InChIKey

0 assay / association records0 preparations1 research-ligand PDB entries

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:JYTPHNOPQGAILG-UHFFFAOYSA-N
Full InChIKey: JYTPHNOPQGAILG-UHFFFAOYSA-N
Source identity status: complete deposited InChIKey
Deposited CCD identifiers: EHQ
External identifiers: See deposited identity and source links

Reference formula: C13H12N4O
Calculated molecular weight: 240.266
Calculated descriptors: cLogP 2.7435 · TPSA 67.6 Å² · HBD 1 · HBA 4RDKit 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: Cc1c(c(on1)C)c2c(c[nH]n2)c3ccncc3
InChI: Not curated

{
  "aliases": [
    "3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole"
  ],
  "ccd_ids": [
    "EHQ"
  ],
  "ccd_names": "[\"3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole\"]",
  "ccd_types": "[\"non-polymer\"]",
  "chemical_id": "INCHIKEY:JYTPHNOPQGAILG-UHFFFAOYSA-N",
  "connectivity_block": "JYTPHNOPQGAILG",
  "curated_source_sha256": null,
  "curation_version": "frozen-v1.2",
  "external_identifiers": {},
  "formal_charge_by_ccd": "{\"EHQ\": 0}",
  "formulae": "[\"C13 H12 N4 O\"]",
  "geometry_note": "CCD ideal SDF is a reference chemical geometry, not a deposited bound pose.",
  "identity_status": "complete_deposited_InChIKey",
  "inchikey": "JYTPHNOPQGAILG-UHFFFAOYSA-N",
  "inventory_origin": "v1_CCD_inventory",
  "isomeric_smiles": "Cc1c(c(on1)C)c2c(c[nH]n2)c3ccncc3",
  "primary_name": "3,5-dimethyl-4-(4-pyridin-4-yl-1~{H}-pyrazol-3-yl)-1,2-oxazole",
  "retrieval_date": "2026-10-24",
  "smiles_stereo_by_ccd": "{\"EHQ\": \"Cc1c(c(on1)C)c2c(c[nH]n2)c3ccncc3\"}",
  "source_metadata_sha256": "{\"EHQ\": \"df960e3aab6baf55a3172a9e93a08a62556bcb87e1652e7700f185a7aa71e84e\"}",
  "source_urls": [
    "https://www.rcsb.org/ligand/EHQ"
  ]
}

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.

Preparation	Tested target & construct	Method / endpoint	Original observation	Conditions & uncertainty	Source & verification
No observations match these filters. Missing curation is not evidence of biological inactivity.

Exact deposited instances

Experimental structures

Native-core and broader Pfam proximity are distinguished from contacts elsewhere in a protein. Each action opens the actual deposited ligand instance. Geometric proximity does not supply a measured binding affinity.

Entry / ligand	Native domain & protein chain	Geometric evidence	Minimum distance	Inspect
6G25 · EHQPDB:6G25:LIG:B:EHQ:401:.	NSD3 PWWP1Protein label chain A · ligand label chain B	native annotation core contactexperimentally studied ligandreported studied structural ligand · research ligand. Deposited geometry is not solution affinity.	Core: 2.7783 Å Pfam: 2.7783 Å	View deposited instance

Preparations, identities and controls remain separate

Experimental context

No measured preparation is linked to this deposited identity in the curated snapshot.

Provenance and reproducibility

Sources & downloads

https://www.rcsb.org/ligand/EHQ

Download complete evidence JSON Curation methods & source receipts

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