Drug · RET / MET / NTRK TKI · RET / MET / NTRK TKI · Sourced compound
Entrectinib structure · mechanism
PubChem CID 25141092. Molecular formula C31H34F2N6O2. Independently assigned structure; reviewed 2026-10-08. Family grouping is editorial and does not establish shared activity.
Entrectinib 2D structure
- Role
- Drug
- Mechanism class
- RET / MET / NTRK TKI
- InChIKey
HAYYBYPASCDWEQ-UHFFFAOYSA-N
- Structure checked
- 2026-10-08
- Molecular formula
- C31H34F2N6O2
- Structure source
- PubChem
- PubChem CID
- 25141092
- InChI Key
- HAYYBYPASCDWEQ-UHFFFAOYSA-N
SMILES
CN1CCN(CC1)C2=CC(=C(C=C2)C(=O)NC3=NNC4=C3C=C(C=C4)CC5=CC(=CC(=C5)F)F)NC6CCOCC6Tags
External IDs · BioMoa
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.
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]