alvocidib   Click here for help

GtoPdb Ligand ID: 5680

Synonyms: flavopiridol | HL 275 | HMR 1275 | L 86-8275 | L 868275 | MDL-107826A | NSC-649890
PDB Ligand
Compound class: Synthetic organic
Comment: Alvocidib is a selective inhibitor of cyclin-dependent kinase (CDK) 2 and CDK4 [2].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 94.14
Molecular weight 401.1
XLogP 3.95
No. Lipinski's rules broken 0
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Canonical SMILES CN1CCC(C(C1)O)c1c(O)cc(c2c1oc(cc2=O)c1ccccc1Cl)O
Isomeric SMILES CN1CC[C@@H]([C@@H](C1)O)c1c(O)cc(c2c1oc(cc2=O)c1ccccc1Cl)O
InChI InChI=1S/C21H20ClNO5/c1-23-7-6-12(17(27)10-23)19-14(24)8-15(25)20-16(26)9-18(28-21(19)20)11-4-2-3-5-13(11)22/h2-5,8-9,12,17,24-25,27H,6-7,10H2,1H3/t12-,17+/m0/s1

Large-scale screening data

DiscoveRx KINOMEscan® screen Click here for help
A screen of 72 inhibitors against 456 human kinases. Quantitative data were derived using DiscoveRx KINOMEscan® platform.
Reference: 3,6

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Value Parameter
ciliogenesis associated kinase 1 ICK Hs Inhibitor Inhibition 9.2 pKd
cyclin dependent kinase 4 CDK4-cyclinD3 Hs Inhibitor Inhibition 8.5 pKd
cyclin dependent kinase 9 CDK9 Hs Inhibitor Inhibition 8.2 pKd
cyclin-dependent kinase like 4 CDKL5 Hs Inhibitor Inhibition 8.1 pKd
cyclin dependent kinase 4 CDK4-cyclinD1 Hs Inhibitor Inhibition 8.1 pKd
cyclin dependent kinase 7 CDK7 Hs Inhibitor Inhibition 7.6 pKd
male germ cell associated kinase MAK Hs Inhibitor Inhibition 7.6 pKd
tyrosine kinase 2 TYK2(JH2domain-pseudokinase) Hs Inhibitor Inhibition 7.5 pKd
TNNI3 interacting kinase TNNI3K Hs Inhibitor Inhibition 7.3 pKd
cyclin dependent kinase 19 CDK11 Hs Inhibitor Inhibition 7.2 pKd
Displaying the top 10 targets  View all targets in screen »