Resolved chemical identity

BI-9466 hydrochloride

Identity / evidence review pending

resolved_reference_identity

0 assay / association records0 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:IKWKUNYCXNAZMF-UHFFFAOYSA-N
Full InChIKey: IKWKUNYCXNAZMF-UHFFFAOYSA-N
Source identity status: resolved reference identity
Deposited CCD identifiers: No exact CCD mapping curated
External identifiers: PubChem CID: 171349396

Reference formula: C17H22ClN5
Calculated molecular weight: 331.851
Calculated descriptors: cLogP 2.9849 · TPSA 61.66 Å² · HBD 1 · HBA 5RDKit 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: CC1=CC(=CC(=C1C2=C(N(C=N2)C)C3=CN=CN3C)C)CN.Cl
InChI: InChI=1S/C17H21N5.ClH/c1-11-5-13(7-18)6-12(2)15(11)16-17(22(4)10-20-16)14-8-19-9-21(14)3;/h5-6,8-10H,7,18H2,1-4H3;1H

{
  "aliases": [],
  "bound_pose": false,
  "canonical_smiles": "CC1=CC(=CC(=C1C2=C(N(C=N2)C)C3=CN=CN3C)C)CN.Cl",
  "ccd_ids": [],
  "chemical_id": "INCHIKEY:IKWKUNYCXNAZMF-UHFFFAOYSA-N",
  "clinical_status": "not independently assessed",
  "curation_version": "phase5-1.0.0",
  "external_identifiers": {
    "PubChem CID": "171349396"
  },
  "identity_status": "resolved_reference_identity",
  "identity_verification": "Exact SGC SMILES/InChI/InChIKey matched PubChem neutral identity; hydrochloride retained as a separate salt identity",
  "inchi": "InChI=1S/C17H21N5.ClH/c1-11-5-13(7-18)6-12(2)15(11)16-17(22(4)10-20-16)14-8-19-9-21(14)3;/h5-6,8-10H,7,18H2,1-4H3;1H",
  "inchikey": "IKWKUNYCXNAZMF-UHFFFAOYSA-N",
  "isomeric_smiles": "CC1=CC(=CC(=C1C2=C(N(C=N2)C)C3=CN=CN3C)C)CN.Cl",
  "molecular_formula": "C17H22ClN5",
  "molecular_weight": "331.8",
  "name": "BI-9466 hydrochloride",
  "primary_name": "BI-9466 hydrochloride",
  "pubchem_cid": "171349396",
  "retrieval_date": "2026-10-26",
  "smiles": "CC1=CC(=CC(=C1C2=C(N(C=N2)C)C3=CN=CN3C)C)CN.Cl",
  "source_url": "https://pubchem.ncbi.nlm.nih.gov/compound/171349396",
  "source_urls": [
    "https://pubchem.ncbi.nlm.nih.gov/compound/171349396"
  ],
  "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.

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

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

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

Source-supported relationships

Relationship	Related identity / preparation	Scope	Source
salt of	BI-9466	Reference hydrochloride identity only; no assay values transferred between salt and parent.	Source

Provenance and reproducibility

Sources & downloads

https://pubchem.ncbi.nlm.nih.gov/compound/171349396

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.