StructureMoaOncology · CNS · cardio-metabolic · ADC catalog

Drug · CDK4/6 inhibitor · CDK4/6 inhibitor · Sourced compound

Abemaciclib structure · mechanism

PubChem CID 46220502. Molecular formula C27H32F2N8. Independently assigned structure; reviewed 2026-10-08. Family grouping is editorial and does not establish shared activity.

Molecular structure from independently sourced SMILES

Abemaciclib 2D structure

Role
Drug
Mechanism class
CDK4/6 inhibitor
InChIKey
UZWDCWONPYILKI-UHFFFAOYSA-N
Structure checked
2026-10-08
Molecular formula
C27H32F2N8
Structure source
PubChem
PubChem CID
46220502
InChI Key
UZWDCWONPYILKI-UHFFFAOYSA-N

How similarity is calculated

SMILES

CCN1CCN(CC1)CC2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F

Tags

CDK4/6

Related compounds

  • PalbociclibSimilarity · Tanimoto 0.21 · DrugSourced compound
  • RibociclibSimilarity · Tanimoto 0.23 · DrugSourced compound

External IDs · BioMoa

PubChem CID 46220502ChEMBLBioMoa · 프로그램 검색 · CDK4/6 / VerzenioBioMoa · 프로그램 검색 · CDK4/6 inhibitorBioMoa bridgeOpen on the family mapFlowStructure tableMechanism class

StructureMoa is a chemical-structure exploration tool. Structural similarity, clustering, and SAR relationships are intended for research exploration and do not establish shared potency, selectivity, safety, efficacy, or clinical performance.

Methodology

Editorial responsibility and corrections

Operated and edited by the independent StructureMoa project. Explanations use AI assistance; structural identity and similarity are checked against source records and calculation tests. Molecular data and clinical or regulatory evidence have separate review scopes.

Source structures
PubChem · CID / SMILES / InChIKey
Calculations and automated checks
RDKit · Morgan / SMARTS
Disclosed specialist review
No separate external specialist review is disclosed. Passing automated tests is not specialist review of clinical claims.

For a correction, include the page URL, molecule name or CID, the field in question and a supporting source. Corrections are checked against sources, and the affected editorial update date is changed when a correction is published. [email protected]