General Information of the Compound
Compound ID
CP0157863
Compound Name
4-PIM
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Synonyms
1H-Imidazole, 4-phenyl-
1H-Imidazole, 5-phenyl-
4(5)-Phenylimidazole
4-PHENYL IMIDAZOLE
4-PHENYL-1H-IMIDAZOLE
4-Phenylimidazole
4-Phenylimidazole, 97%
4-phenyl-1h-imidazol
4-phenyl-imidazole
4-phenylimidazole, 4-PI
5-Phenyl-1H-imidazole
5-phenylimidazole
670-95-1
AC1L2C7W
AC1Q4YD1
ACMC-209nxp
AMBZ0133
CHEMBL14145
CTK5J6021
EINECS 211-580-1
F1918-0054
Imidazole, 4-phenyl-
Imidazole, 4-phenyl- (8CI)
KSC696A2D
MFCD00005197
NSC 195337
NSC-195337
PIM
PubChem7224
SCHEMBL37563
XHLKOHSAWQPOFO-UHFFFAOYSA-N
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Structure
Formula
C9H8N2
Molecular Weight
144.177
Canonical SMILES
c1nc(c[nH]1)-c1ccccc1
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InChI
InChI=1S/C9H8N2/c1-2-4-8(5-3-1)9-6-10-7-11-9/h1-7H,(H,10,11)
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InChIKey
XHLKOHSAWQPOFO-UHFFFAOYSA-N
Physicochemical Property
logP
2.0767
Rotatable Bonds
1
Heavy Atom Count
11
Polar Areas
28.68
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
1
Complexity
11

"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: 69590
SID: 12015948
ChEMBL ID
CHEMBL14145
DrugBank ID
DB03254
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
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000045 A-375 Homo sapiens (Human)  1
1
IC50 > 30000 nM
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 27000 nM
2 IC50 = 48000 nM
3 Ki = 4400 nM
Clinical Information about the Compound
Drug 1 ( 4-Phenylimidazole )
Drug Name 4-Phenylimidazole
Target(s)
Indoleamine 2,3-dioxygenase 1 (IDO1)
Inhibitor