PHA-665752   Click here for help

GtoPdb Ligand ID: 5700

Synonyms: PHA 665752 | TCMDC-125885
Compound class: Synthetic organic
Comment: PHA-665752 is a potent, selective and ATP-competitive c-MET (HGFR) inhibitor [1].
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 7
Hydrogen bond donors 2
Rotatable bonds 8
Topological polar surface area 110.96
Molecular weight 640.17
XLogP 4.83
No. Lipinski's rules broken 0
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Canonical SMILES O=C1Nc2c(C1=Cc1[nH]c(c(c1C)C(=O)N1CCCC1CN1CCCC1)C)cc(cc2)S(=O)(=O)Cc1c(Cl)cccc1Cl
Isomeric SMILES O=C1Nc2c(/C/1=C/c1[nH]c(c(c1C)C(=O)N1CCC[C@@H]1CN1CCCC1)C)cc(cc2)S(=O)(=O)Cc1c(Cl)cccc1Cl
InChI InChI=1S/C32H34Cl2N4O4S/c1-19-29(35-20(2)30(19)32(40)38-14-6-7-21(38)17-37-12-3-4-13-37)16-24-23-15-22(10-11-28(23)36-31(24)39)43(41,42)18-25-26(33)8-5-9-27(25)34/h5,8-11,15-16,21,35H,3-4,6-7,12-14,17-18H2,1-2H3,(H,36,39)/b24-16-/t21-/m1/s1

Large-scale screening data

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A screen of 72 inhibitors against 456 human kinases. Quantitative data were derived using DiscoveRx KINOMEscan® platform.
Reference: 2-3

Key to terms and symbols Click column headers to sort
Target Name in screen Sp. Type Action Value Parameter
MET proto-oncogene, receptor tyrosine kinase MET Hs Inhibitor Inhibition 9.6 pKd
MET proto-oncogene, receptor tyrosine kinase MET(M1250T) Hs Inhibitor Inhibition 9.2 pKd
MET proto-oncogene, receptor tyrosine kinase MET(Y1235D) Hs Inhibitor Inhibition 9.1 pKd
SRSF protein kinase 1 SRPK1 Hs Inhibitor Inhibition 7.4 pKd
TAO kinase 3 TAOK3 Hs Inhibitor Inhibition 7.4 pKd
BMP2 inducible kinase BIKE Hs Inhibitor Inhibition 7.3 pKd
fms related receptor tyrosine kinase 3 FLT3(ITD) Hs Inhibitor Inhibition 7.2 pKd
G protein-coupled receptor kinase 7 GRK7 Hs Inhibitor Inhibition 7.2 pKd
homeodomain interacting protein kinase 3 HIPK3 Hs Inhibitor Inhibition 7.2 pKd
calcium/calmodulin dependent protein kinase kinase 1 CAMKK1 Hs Inhibitor Inhibition 7.2 pKd
Displaying the top 10 targets  View all targets in screen »