General Information of the Compound
Compound ID
CP0285803
Compound Name
[4-[[5-(1-ethylpyrazol-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]pyridin-2-yl]methanol
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Structure
Formula
C17H17N7O
Molecular Weight
335.371
Canonical SMILES
CCn1cc(cn1)-c1cccc2nc(Nc3ccnc(CO)c3)nn12
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InChI
InChI=1S/C17H17N7O/c1-2-23-10-12(9-19-23)15-4-3-5-16-21-17(22-24(15)16)20-13-6-7-18-14(8-13)11-25/h3-10,25H,2,11H2,1H3,(H,18,20,22)
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InChIKey
IHOZCQOCOSYTJT-UHFFFAOYSA-N
Physicochemical Property
logP
2.2436
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
93.16
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
8
Complexity
25

"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: 59186263
ChEMBL ID
CHEMBL2414531
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: PT01214, Tyrosine-protein kinase JAK2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000224 SET-2 Homo sapiens (Human)  1
1
IC50 = 115 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 Ki = 3 nM