abivertinib   Click here for help

GtoPdb Ligand ID: 10044

Synonyms: AC0010 | AC0010MA | avitinib (superceded INN)
Compound class: Synthetic organic
Comment: Abivertinib (AC0010) is an orally active, irreversible EGFR inhibitor that selectively targets mutated EGFRs, and was designed to overcome T790M-induced resistance in tumours [2]. It may also inhibit BTK, thus offering extended clinical utility [3]. We show the structure for the free base form of the compound.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 3
Rotatable bonds 8
Topological polar surface area 98.41
Molecular weight 487.21
XLogP 4.44
No. Lipinski's rules broken 0
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Canonical SMILES C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(c(c2)F)N2CCN(CC2)C)nc2c1cc[nH]2
Isomeric SMILES C=CC(=O)Nc1cccc(c1)Oc1nc(Nc2ccc(c(c2)F)N2CCN(CC2)C)nc2c1cc[nH]2
InChI InChI=1S/C26H26FN7O2/c1-3-23(35)29-17-5-4-6-19(15-17)36-25-20-9-10-28-24(20)31-26(32-25)30-18-7-8-22(21(27)16-18)34-13-11-33(2)12-14-34/h3-10,15-16H,1,11-14H2,2H3,(H,29,35)(H2,28,30,31,32)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
International Nonproprietary Names Click here for help
INN number INN
10807 abivertinib
Synonyms Click here for help
AC0010 | AC0010MA | avitinib (superceded INN)
Database Links Click here for help
CAS Registry No. 1557267-42-1 (source: WHO INN record)
GtoPdb PubChem SID 375973232
PubChem CID 72734520
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