General Information of the Compound
Compound ID
CP0090856
Compound Name
2-(1H-imidazol-4-yl)phenol
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Synonyms
19170-74-2
2-(1H-Imidazol-4-yl)phenol
2-(1H-Imidazol-5-yl)-phenol
2-(1H-Imidazol-5-yl)phenol
2-(1H-imidazol-4-yl)phenol, 1
BDBM24663
CHEMBL457063
SCHEMBL1502109
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Structure
Formula
C9H8N2O
Molecular Weight
160.176
Canonical SMILES
Oc1ccccc1-c1c[nH]cn1
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InChI
InChI=1S/C9H8N2O/c12-9-4-2-1-3-7(9)8-5-10-6-11-8/h1-6,12H,(H,10,11)
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InChIKey
BYAAMOMNSVKNMA-UHFFFAOYSA-N
Physicochemical Property
logP
1.7823
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
48.91
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
2
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: 10307884
SID: 85747407
ChEMBL ID
CHEMBL457063
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: PT01557, Indoleamine 2,3-dioxygenase 1
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000058 T-REx-293
 Cell Line Info 
Homo sapiens (Human)  1
1
EC50 = 7200 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 1700 nM
2 IC50 = 4800 nM
3 Ki = 8900 nM
Clinical Information about the Compound
Drug 1 ( 2-(1H-Imidazol-4-yl)phenol )
Drug Name 2-(1H-Imidazol-4-yl)phenol
Target(s)
Indoleamine 2,3-dioxygenase 1 (IDO1)
 Target Info 
Inhibitor