General Information of the Compound
Compound ID
CP0148189
Compound Name
7-methoxy-4-({6-phenyl-[1,2,4]triazolo[4,3-a]pyridazin-3-yl}methoxy)quinoline
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Synonyms
1002304-34-8
3cd8
7-Methoxy-4-[(6-phenyl-1,2,4-triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
7-methoxy-4-((6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy)quinoline
7-methoxy-4-({6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}methoxy)quinoline
7-methoxy-4-[(6-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
7-methoxy-4-[(6-phenyl[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methoxy]quinoline
AMG 208
AMG-208
AMG208
C22H17N5O2
CHEBI:90626
Triazolopyridazine, 4
UNII-Y2SR66P7VM
Y2SR66P7VM
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Structure
Formula
C22H17N5O2
Molecular Weight
383.411
Canonical SMILES
COc1ccc2c(OCc3nnc4ccc(nn34)-c3ccccc3)ccnc2c1
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InChI
InChI=1S/C22H17N5O2/c1-28-16-7-8-17-19(13-16)23-12-11-20(17)29-14-22-25-24-21-10-9-18(26-27(21)22)15-5-3-2-4-6-15/h2-13H,14H2,1H3
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InChIKey
HEAIZQNMNCHNFD-UHFFFAOYSA-N
CAS
1002304-34-8
Physicochemical Property
logP
3.9271
Rotatable Bonds
5
Heavy Atom Count
29
Polar Areas
74.43
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
7
Complexity
29

"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: 24864821
SID: 50097515
ChEMBL ID
CHEMBL496102
DrugBank ID
DB08079
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
CL001061 PC-2 [Human pancreatic carcinoma China] Homo sapiens (Human)  1
1
IC50 = 46 nM
   TI
   LI
   LO
   TS
CL000048 PC-3 Homo sapiens (Human)  1
1
IC50 = 46 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 9 nM
Clinical Information about the Compound
Drug 1 ( AMG 208 )
Drug Name AMG 208
Company Amgen Thousand
Indication
Solid tumour/cancer
Phase 2
Target(s)
Proto-oncogene c-Met (MET)
Modulator