General Information of the Compound
Compound ID
CP0024739
Compound Name
4-{[(2S)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-3-[4-methyl-6-(morpholin-4-yl)-1H-1,3-benzodiazol-2-yl]-1,2-dihydropyridin-2-one
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Synonyms
BMS-536924
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Structure
Formula
C25H26ClN5O3
Molecular Weight
479.968
Canonical SMILES
Cc1cc(cc2[nH]c(nc12)-c1c(NC[C@@H](O)c2cccc(Cl)c2)cc[nH]c1=O)N1CCOCC1
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InChI
InChI=1S/C25H26ClN5O3/c1-15-11-18(31-7-9-34-10-8-31)13-20-23(15)30-24(29-20)22-19(5-6-27-25(22)33)28-14-21(32)16-3-2-4-17(26)12-16/h2-6,11-13,21,32H,7-10,14H2,1H3,(H,29,30)(H2,27,28,33)/t21-/m1/s1
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InChIKey
ZWVZORIKUNOTCS-OAQYLSRUSA-N
Physicochemical Property
logP
3.86212
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
106.27
Hydrogen Bond Donor Count
4
Hydrogen Bond Acceptor Count
6
Complexity
34

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 135440466
SID: 15406036
ChEMBL ID
CHEMBL401930
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01104, Insulin-like growth factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000899 IGFSal Homo sapiens (Human)  1
1
IC50 = 100 nM
   TI
   LI
   LO
   TS
CL000766 SAL1 Homo sapiens (Human)  1
1
IC50 = 110 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 100 nM
2 IC50 = 110 nM
3 Kd = 34.6 nM
Protein ID: PT06120, Insulin-like growth factor 1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000766 SAL1 Homo sapiens (Human)  1
1
IC50 = 110 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( BMS-536924 )
Drug Name BMS-536924
Target(s)
Platelet-derived growth factor receptor alpha (PDGFRA)
Inhibitor
RAC-alpha serine/threonine-protein kinase (AKT1)
Inhibitor
Vascular endothelial growth factor receptor 2 (KDR)
Inhibitor
LCK tyrosine protein kinase (LCK)
Inhibitor
Proto-oncogene c-Met (MET)
Inhibitor
G1/S-specific cyclin-E1 (CCNE1)
Inhibitor
Focal adhesion kinase 1 (FAK)
Inhibitor
Platelet-derived growth factor receptor beta (PDGFRB)
Inhibitor
Extracellular signal-regulated kinase 2 (ERK2)
Inhibitor
Cyclin-dependent kinase 2 (CDK2)
Inhibitor
ERBB2 messenger RNA (HER2 mRNA)
Inhibitor
Albendazole monooxygenase (CYP3A4)
Inhibitor
Insulin-like growth factor I receptor (IGF1R)
Inhibitor