General Information of the Compound
Compound ID
CP0066367
Compound Name
2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
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Synonyms
PF-04217903
1159490-85-3
2-(4-(1-(Quinolin-6-ylmethyl)-1H-(1,2,3)triazolo(4,5-b)pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol
2-(4-(1-(Quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol
2-(4-(1-(quinolin-6-ylmethyl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-6-yl)-1H-pyrazol-1-yl)ethanol
2-[4-(3-Quinolin-6-ylmethyl-3H-[1,2,3]triazolo[4,5-b]pyrazin-5-yl)-pyrazol-1-yl]-ethanol
3zxz
956905-27-4
C19H16N8O
CHEMBL2001019
CYJ9ATV1IJ
PDMUGYOXRHVNMO-UHFFFAOYSA-N
PF 04217903
PF-04217903
PF-4217903
PF04217903
UNII-CYJ9ATV1IJ
aka PF-04217903
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Structure
Formula
C19H16N8O
Molecular Weight
372.392
Canonical SMILES
OCCn1cc(cn1)-c1cnc2nnn(Cc3ccc4ncccc4c3)c2n1
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InChI
InChI=1S/C19H16N8O/c28-7-6-26-12-15(9-22-26)17-10-21-18-19(23-17)27(25-24-18)11-13-3-4-16-14(8-13)2-1-5-20-16/h1-5,8-10,12,28H,6-7,11H2
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InChIKey
PDMUGYOXRHVNMO-UHFFFAOYSA-N
CAS
956905-27-4
Physicochemical Property
logP
1.6736
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
107.43
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
9
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: 17754438
SID: 29212271
ChEMBL ID
CHEMBL2001019
DrugBank ID
DB12848
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 = 4 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 EC50 = 0.3 nM
2 IC50 = 4 nM
3 IC50 = 4.8 nM
4 IC50 = 50.12 nM
5 Kd = 4.5 nM
6 Ki = 4.8 nM
7 Ki = 5 nM
Clinical Information about the Compound
Drug 1 ( PF-4217903 )
Drug Name PF-4217903
Company Pfizer
Indication
Solid tumour/cancer
Phase 1
Target(s)
Proto-oncogene c-Met (MET)
 Target Info 
Inhibitor