General Information of the Compound
Compound ID
CP0874517
Compound Name
2-Hydroxy-1H-pyrrolo[3,2-b]pyridine-3-carbonitrile
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Structure
Formula
C8H5N3O
Molecular Weight
159.148
Canonical SMILES
N#Cc1c(O)[nH]c2cccnc12
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InChI
InChI=1S/C8H5N3O/c9-4-5-7-6(11-8(5)12)2-1-3-10-7/h1-3,11-12H
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InChIKey
METOCGOPVSIXJX-UHFFFAOYSA-N
Physicochemical Property
logP
1.14018
Rotatable Bonds
0
Heavy Atom Count
12
Polar Areas
72.7
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
12

"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: 136029155
ChEMBL ID
CHEMBL292552
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: PT01821, Calcium-activated potassium channel subunit alpha-1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 13400 nM
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