General Information of the Compound
Compound ID
CP0023994
Compound Name
(3Z)-N-(3-CHLOROPHENYL)-3-({3,5-DIMETHYL-4-[(4-METHYLPIPERAZIN-1-YL)CARBONYL]-1H-PYRROL-2-YL}METHYLENE)-N-METHYL-2-OXOINDOLINE-5-SULFONAMIDE
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Synonyms
Met kinase Inhibitor
SU-11274
SU11274
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Structure
Formula
C28H30ClN5O4S
Molecular Weight
568.099
Canonical SMILES
CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc2NC(=O)\C(=C/c3[nH]c(C)c(C(=O)N4CCN(C)CC4)c3C)c2c1
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InChI
InChI=1S/C28H30ClN5O4S/c1-17-25(30-18(2)26(17)28(36)34-12-10-32(3)11-13-34)16-23-22-15-21(8-9-24(22)31-27(23)35)39(37,38)33(4)20-7-5-6-19(29)14-20/h5-9,14-16,30H,10-13H2,1-4H3,(H,31,35)/b23-16-
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InChIKey
FPYJSJDOHRDAMT-KQWNVCNZSA-N
Physicochemical Property
logP
3.99034
Rotatable Bonds
5
Heavy Atom Count
39
Polar Areas
105.82
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
39

"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: 9549297
SID: 22395876
ChEMBL ID
CHEMBL261641
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: PT01201, Hepatocyte growth factor receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549 Homo sapiens (Human)  1
1
IC50 = 10 nM
   TI
   LI
   LO
   TS
CL000031 MDCK Canis lupus familiaris (Dog)  1
1
IC50 = 152 nM
   TI
   LI
   LO
   TS
CL000282 GTL-16 Homo sapiens (Human)  1
1
IC50 = 228 nM
   TI
   LI
   LO
   TS
CL000063 Hep-G2 Homo sapiens (Human)  1
1
IC50 = 1561 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 14 nM
2 IC50 = 20 nM
Clinical Information about the Compound
Drug 1 ( SU11274 )
Drug Name SU11274
Target(s)
Proto-oncogene c-Met (MET)
Inhibitor