General Information of the Compound
Compound ID
CP0313628
Compound Name
4-[2-amino-4-ethyl-5-(1H-indazol-5-yl)pyridin-3-yl]phenol
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Structure
Formula
C20H18N4O
Molecular Weight
330.391
Canonical SMILES
CCc1c(cnc(N)c1-c1ccc(O)cc1)-c1ccc2[nH]ncc2c1
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InChI
InChI=1S/C20H18N4O/c1-2-16-17(13-5-8-18-14(9-13)10-23-24-18)11-22-20(21)19(16)12-3-6-15(25)7-4-12/h3-11,25H,2H2,1H3,(H2,21,22)(H,23,24)
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InChIKey
ZHYXJQQBKROZDX-UHFFFAOYSA-N
Physicochemical Property
logP
4.1421
Rotatable Bonds
3
Heavy Atom Count
25
Polar Areas
87.82
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
4
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: 122531786
ChEMBL ID
CHEMBL4076247
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: PT02499, Ubiquitin carboxyl-terminal hydrolase 7
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000410 SJSA-1 Homo sapiens (Human)  1
1
EC50 = 300 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 750 nM
2 IC50 = 980 nM