alvocidib

Ligand id: 5680

Name: alvocidib

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 3
Rotatable bonds 2
Topological polar surface area 90.23
Molecular weight 401.1
XLogP 1.74
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Large-scale screening data

DiscoveRx KINOMEscan® screen
A screen of 72 inhibitors against 456 human kinases. Quantitative data were derived using DiscoveRx KINOMEscan® platform.
http://www.discoverx.com/services/drug-discovery-development-services/kinase-profiling/kinomescan
Reference: 3,6

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Affinity Units
intestinal cell kinase 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 »