General Information of the Compound
Compound ID
CP0116773
Compound Name
4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonitrile
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Synonyms
102676-47-1
4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonitrile
5-p-cyanophenyl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine
Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo(1,5-a)pyridin-5-yl)-
Benzonitrile, 4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)-
CGS-16949A
CHEMBL9298
FADROZOLE
Fadrozol
Fadrozol [INN-Spanish]
Fadrozole (INN)
Fadrozole [INN]
Fadrozolum
Fadrozolum [INN-Latin]
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Structure
Formula
C14H13N3
Molecular Weight
223.279
Canonical SMILES
N#Cc1ccc(cc1)C1CCCc2cncn12
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InChI
InChI=1S/C14H13N3/c15-8-11-4-6-12(7-5-11)14-3-1-2-13-9-16-10-17(13)14/h4-7,9-10,14H,1-3H2
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InChIKey
CLPFFLWZZBQMAO-UHFFFAOYSA-N
Physicochemical Property
logP
2.68048
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
41.61
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
17

"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: 59693
SID: 15196027
ChEMBL ID
CHEMBL9298
DrugBank ID
DB16832
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: PT03119, Cytochrome P450 11B1, mitochondrial
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  3
1
IC50 = 6.3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 9.7 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
IC50 = 10 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000191 V79
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 10 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT03120, Cytochrome P450 11B2, mitochondrial
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000170 V79MZ
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  2
1
IC50 = 0.8 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000191 V79
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( FADROZOLE )
Drug Name FADROZOLE
Indication
Breast cancer
Approved
Target(s)
Aromatase (CYP19A1)
 Target Info 
Inhibitor
Steroid 11-beta-hydroxylase (CYP11B1)
 Target Info 
Inhibitor