Cdk4 inhibitor   Click here for help

GtoPdb Ligand ID: 5950

Synonyms: indolocarbazole deriv. 4(d) | K00024
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 0
Topological polar surface area 81.51
Molecular weight 403
XLogP 4.81
No. Lipinski's rules broken 0
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Canonical SMILES Brc1ccc2c(c1)[nH]c1c2c2c(=O)[nH]c(=O)c2c2c1[nH]c1c2cccc1
Isomeric SMILES Brc1ccc2c(c1)[nH]c1c2c2c(=O)[nH]c(=O)c2c2c1[nH]c1c2cccc1
InChI InChI=1S/C20H10BrN3O2/c21-8-5-6-10-12(7-8)23-18-14(10)16-15(19(25)24-20(16)26)13-9-3-1-2-4-11(9)22-17(13)18/h1-7,22-23H,(H,24,25,26)
Selectivity at enzymes
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Target Sp. Type Action Value Parameter Concentration range (M) Reference
cyclin dependent kinase 4 Primary target of this compound Hs Inhibitor Inhibition 7.1 pIC50 - 3
pIC50 7.1 (IC50 7.6x10-8 M) [3]
Description: CDK4/cyclin D1 complex
cyclin dependent kinase 2 Hs Inhibitor Inhibition 6.3 pIC50 - 3
pIC50 6.3 (IC50 5.2x10-7 M) [3]
Description: CDK2/cyclin E complex
cyclin dependent kinase 1 Hs Inhibitor Inhibition 5.7 pIC50 - 3
pIC50 5.7 (IC50 2.1x10-6 M) [3]
Description: CDK1/cyclin B complex