General Information of the Compound
Compound ID
CP0071539
Compound Name
EMD-1214063
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Synonyms
1100598-32-0
1IJV77EI07
Benzonitrile, 3-(1,6-dihydro-1-((3-(5-((1-methyl-4-piperidinyl)methoxy)-2-pyrimidinyl)phenyl)methyl)-6-oxo
Benzonitrile, 3-[1,6-Dihydro-1-[[3-[5-[(1-Methyl-4-Piperidinyl)Methoxy]-2-PyriMidinyl]Phenyl]Methyl]-6-Oxo-3-Pyridazinyl]
Benzonitrile, 3-[1,6-dihydro-1-[[3-[5-[(1-methyl-4-piperidinyl)methoxy]-2-pyrimidinyl]phenyl]methyl]-6-oxo-3-pyridazinyl]-
C29H28N6O2
EMD 1214063
EMD1214063
MSC-2156119J
Tepotinib
Tepotinib (EMD 1214063)
Tepotinib [INN]
UNII-1IJV77EI07
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Structure
Formula
C29H28N6O2
Molecular Weight
492.583
Canonical SMILES
CN1CCC(COc2cnc(nc2)-c2cccc(Cn3nc(ccc3=O)-c3cccc(c3)C#N)c2)CC1
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InChI
InChI=1S/C29H28N6O2/c1-34-12-10-21(11-13-34)20-37-26-17-31-29(32-18-26)25-7-3-5-23(15-25)19-35-28(36)9-8-27(33-35)24-6-2-4-22(14-24)16-30/h2-9,14-15,17-18,21H,10-13,19-20H2,1H3
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InChIKey
AHYMHWXQRWRBKT-UHFFFAOYSA-N
CAS
1100598-32-0
Physicochemical Property
logP
4.00788
Rotatable Bonds
7
Heavy Atom Count
37
Polar Areas
96.93
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
8
Complexity
37

"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: 25171648
SID: 92728605
ChEMBL ID
CHEMBL3402762
DrugBank ID
DB15133
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
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000068 A-549
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 12 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 < 1 nM
2 IC50 = 3 nM
Clinical Information about the Compound
Drug 1 ( Tepotinib )
Drug Name Tepotinib
Company EMD Serono
Indication
Non-small-cell lung cancer
Approved
Hepatocellular carcinoma
Phase 2
Solid tumour/cancer
Phase 1/2
Solid tumour/cancer
Phase 1
Target(s)
Proto-oncogene c-Met (MET)
 Target Info 
Modulator