pimicotinib   Click here for help

GtoPdb Ligand ID: 12873

Synonyms: ABSK-021 | ABSK021 | example 41 [WO2018214867A9]
Compound class: Synthetic organic
Comment: The structure for pimicotinib was obtained from proposed INN list 129 (August 2023) where it is described as a tyrosine kinase inhibitor and antineoplastic agent. It is one of the compounds claimed for CSF1R inhibitory activity in patent WO2018214867A9 [1]. The INN maps to clinical lead asset ABSK021.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 9
Hydrogen bond donors 1
Rotatable bonds 6
Topological polar surface area 98.96
Molecular weight 420.47
XLogP 0.63
No. Lipinski's rules broken 0
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Canonical SMILES CC1=NC(=CC=C1OC2=CC(=NC=C2)C3=CN(C)N=C3)NC(=O)N4CCC(C)(C)C4=O
Isomeric SMILES CC1(C(N(CC1)C(=O)NC2=NC(=C(C=C2)OC3=CC(=NC=C3)C=4C=NN(C4)C)C)=O)C
InChI InChI=1S/C22H24N6O3/c1-14-18(31-16-7-9-23-17(11-16)15-12-24-27(4)13-15)5-6-19(25-14)26-21(30)28-10-8-22(2,3)20(28)29/h5-7,9,11-13H,8,10H2,1-4H3,(H,25,26,30)
Classification Click here for help
Compound class Synthetic organic
IUPAC Name Click here for help
Synonyms Click here for help
ABSK-021 | ABSK021 | example 41 [WO2018214867A9]
Database Links Click here for help
CAS Registry No. 2253123-16-7 (source: WHO INN record)
GtoPdb PubChem SID 485205994
PubChem CID 139549388
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