AT-7519   

GtoPdb Ligand ID: 5662

Synonyms: AT 7519 | AT7519
Compound class: Synthetic organic
Comment: AT-7519 is an inhibitor of several cyclin-dependent kinases [2].
2D Structure
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Physico-chemical Properties
Hydrogen bond acceptors 6
Hydrogen bond donors 4
Rotatable bonds 6
Topological polar surface area 98.91
Molecular weight 381.08
XLogP 3.67
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
Canonical SMILES O=C(c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl)NC1CCNCC1
Isomeric SMILES O=C(c1n[nH]cc1NC(=O)c1c(Cl)cccc1Cl)NC1CCNCC1
InChI InChI=1S/C16H17Cl2N5O2/c17-10-2-1-3-11(18)13(10)15(24)22-12-8-20-23-14(12)16(25)21-9-4-6-19-7-5-9/h1-3,8-9,19H,4-7H2,(H,20,23)(H,21,25)(H,22,24)
InChI Key OVPNQJVDAFNBDN-UHFFFAOYSA-N

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: 1,3

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Value Parameter
cyclin dependent kinase 17 PCTK2 Hs Inhibitor Inhibition 9.0 pKd
cyclin dependent kinase 16 PCTK1 Hs Inhibitor Inhibition 9.0 pKd
cyclin-dependent kinase like 4 CDKL5 Hs Inhibitor Inhibition 8.6 pKd
cyclin dependent kinase 7 CDK7 Hs Inhibitor Inhibition 8.6 pKd
cyclin dependent kinase 13 CDC2L5 Hs Inhibitor Inhibition 8.5 pKd
cyclin dependent kinase 11A CDC2L2 Hs Inhibitor Inhibition 8.3 pKd
cyclin dependent kinase 9 CDK9 Hs Inhibitor Inhibition 8.2 pKd
ciliogenesis associated kinase 1 ICK Hs Inhibitor Inhibition 8.1 pKd
cyclin dependent kinase 11B CDC2L1 Hs Inhibitor Inhibition 8.1 pKd
glycogen synthase kinase 3 beta GSK3B Hs Inhibitor Inhibition 8.0 pKd
Displaying the top 10 targets  View all targets in screen »