General Information of the Compound
Compound ID
CP0197654
Compound Name
US9062045, Comparator No. 1 (JNJ-38877605)
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Synonyms
C-met inhibitor (solid tumors), ORD/J&J PRD
C-met inhibitor, Ortho Biotech Oncology Research & Development
JNJ-38877605
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Structure
Formula
C19H13F2N7
Molecular Weight
377.358
Canonical SMILES
Cn1cc(cn1)-c1ccc2nnc(n2n1)C(F)(F)c1ccc2ncccc2c1
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InChI
InChI=1S/C19H13F2N7/c1-27-11-13(10-23-27)16-6-7-17-24-25-18(28(17)26-16)19(20,21)14-4-5-15-12(9-14)3-2-8-22-15/h2-11H,1H3
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InChIKey
JRWCBEOAFGHNNU-UHFFFAOYSA-N
CAS
943540-75-8
Physicochemical Property
logP
3.2131
Rotatable Bonds
3
Heavy Atom Count
28
Polar Areas
73.79
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
28

"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: 46911863
ChEMBL ID
CHEMBL2133806
DrugBank ID
DB13113
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
CL000504 EBC-1 Homo sapiens (Human)  1
1
IC50 = 5.5 nM
   TI
   LI
   LO
   TS
CL000413 MKN45 Homo sapiens (Human)  1
1
IC50 = 9.5 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.95 nM
2 IC50 = 1 nM
3 IC50 = 3 nM
4 IC50 = 4 nM
Clinical Information about the Compound
Drug 1 ( JNJ-38877605 )
Drug Name JNJ-38877605
Company Johnson & Johnson Pharmaceutical Research & Development LLC
Indication
Solid tumour/cancer
Phase 1
Target(s)
Proto-oncogene c-Met (MET)
Inhibitor