General Information of the Compound
Compound ID
CP0327042
Compound Name
(R)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile
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Synonyms
(R)-4-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl)benzonitrile
102676-87-9
4-[(5r)-5,6,7,8-Tetrahydroimidazo[1,5-A]pyridin-5-Yl]benzonitrile
BDBM50047262
Benzonitrile, 4-[(5R)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-5-yl]-
CHEMBL287677
CLPFFLWZZBQMAO-CQSZACIVSA-N
IC1B8751F6
R-FADROZOLE
R-fadrozole
SCHEMBL685516
UNII-H3988M64PU component CLPFFLWZZBQMAO-CQSZACIVSA-N
UNII-IC1B8751F6
ZINC1851916
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Structure
Formula
C14H13N3
Molecular Weight
223.279
Canonical SMILES
N#Cc1ccc(cc1)[C@H]1CCCc2cncn12
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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/t14-/m1/s1
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InChIKey
CLPFFLWZZBQMAO-CQSZACIVSA-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: 9815923
SID: 16338122
ChEMBL ID
CHEMBL287677
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
CL000191 V79
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 19 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000170 V79MZ
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 119 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
CL000050 HEK293-A
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 4 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000170 V79MZ
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000191 V79
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000263 NCI-H295R
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 30 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Protein ID: PT06518, Cytochrome P450 11B2, mitochondrial
 Protein Info 
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 2074 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( R-fadrozole )
Drug Name R-fadrozole
Target(s)
Steroid 11-beta-hydroxylase (CYP11B1)
 Target Info 
Inhibitor