inixaciclib   Click here for help

GtoPdb Ligand ID: 12078

Synonyms: compound 442 [WO2019161224A1] | example 50 [WO2019161224A1]
Compound class: Synthetic organic
Comment: We obtained the chemical structure for inixaciclib from the WHO's proposed INN list 127 (21 July 2022). In this document it was described as a cyclin-dependent kinase inhibitor and antineoplastic. This Chemical structure mapped to PubChem CID 139390026, and then to compound 442 in GiraFpharma's patent WO2019161224A1 which claims compounds as CDK4 or CDK6 inhibitors for use as anticancer drugs [1]. We have been unable to map inixaciclib to a company research code.
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 6
Hydrogen bond donors 1
Rotatable bonds 5
Topological polar surface area 66.41
Molecular weight 480.24
XLogP 4.7
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCC(CC1)c1ccc(nc1)Nc1ncc(c(n1)c1cc(F)c2c(c1)N(CCO2)C(C)C)F
Isomeric SMILES Fc1c(nc(nc1)Nc1ncc(cc1)C1CCN(CC1)C)c1cc(c2c(N(CCO2)C(C)C)c1)F
InChI InChI=1S/C26H30F2N6O/c1-16(2)34-10-11-35-25-20(27)12-19(13-22(25)34)24-21(28)15-30-26(32-24)31-23-5-4-18(14-29-23)17-6-8-33(3)9-7-17/h4-5,12-17H,6-11H2,1-3H3,(H,29,30,31,32)
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
12222 inixaciclib
Synonyms Click here for help
compound 442 [WO2019161224A1] | example 50 [WO2019161224A1]
Database Links Click here for help
BindingDB Ligand 525755
GtoPdb PubChem SID 472319200
PubChem CID 139390026
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UniChem Compound Search for chemical match using the InChIKey YZSCPLGKKMSBMV-UHFFFAOYSA-N
UniChem Connectivity Search for chemical match using the InChIKey YZSCPLGKKMSBMV-UHFFFAOYSA-N