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
Selectivity at enzymes
Key to terms and symbols Click column headers to sort
Target Sp. Type Action Value Parameter Concentration range (M) Reference
cyclin dependent kinase 2 Hs Inhibitor - 7.5 pKd - 1
pKd 7.5 (Kd 3x10-8 M) [1]
cyclin dependent kinase 9 Hs Inhibitor Inhibition >8.0 pIC50 - 2
pIC50 >8.0 (IC50 <1x10-8 M) [2]
cyclin dependent kinase 5 Hs Inhibitor Inhibition 7.9 pIC50 - 2
pIC50 7.9 (IC50 1.3x10-8 M) [2]
cyclin dependent kinase 2 Hs Inhibitor Inhibition 7.3 pIC50 - 2
pIC50 7.3 (IC50 4.7x10-8 M) [2]
cyclin dependent kinase 4 Hs Inhibitor Inhibition 7.0 pIC50 - 2
pIC50 7.0 (IC50 1x10-7 M) [2]
cyclin dependent kinase 6 Hs Inhibitor Inhibition 6.8 pIC50 - 2
pIC50 6.8 (IC50 1.7x10-7 M) [2]
cyclin dependent kinase 1 Hs Inhibitor Inhibition 6.7 pIC50 - 2
pIC50 6.7 (IC50 2.1x10-7 M) [2]