General Information of the Compound
Compound ID
CP0134578
Compound Name
4-[(5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile
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Synonyms
1304733-26-3
4-[(5R)-6,7-Dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzo nitrile
5YL4IQ1078
928134-65-0
AKOS027323750
BDBM50444549
CHEMBL3099695
CS-6896
D11061
DB11837
DTXSID40156570
EX-A1397
GTPL8310
HY-16276
KB-78108
LCI 699
LCI-699
LCI699
LCI699-NX
MolPort-044-560-410
Osilodrostat
Osilodrostat (USAN/INN)
Osilodrostat [USAN:INN]
Osilodrostat;4-[(5R)-6,7-dihydro-5H-pyrrolo[1,2-c]imidazol-5-yl]-3-fluorobenzonitrile
SCHEMBL12460772
UNII-5YL4IQ1078
Z-3271
ZINC72318114
s7456
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Structure
Formula
C13H10FN3
Molecular Weight
227.242
Canonical SMILES
Fc1cc(ccc1[C@H]1CCc2cncn12)C#N
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InChI
InChI=1S/C13H10FN3/c14-12-5-9(6-15)1-3-11(12)13-4-2-10-7-16-8-17(10)13/h1,3,5,7-8,13H,2,4H2/t13-/m1/s1
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InChIKey
USUZGMWDZDXMDG-CYBMUJFWSA-N
CAS
928134-65-0
Physicochemical Property
logP
2.42948
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: 44139752
SID: 85095657
ChEMBL ID
CHEMBL3099695
DrugBank ID
DB11837
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 = 2.9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 3 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
3
IC50 = 6 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000191 V79
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 22 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 2.5 nM
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 = 0.2 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
2
IC50 = 0.5 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000191 V79
 Cell Line Info 
Cricetulus griseus (Chinese hamster)  1
1
IC50 = 1.2 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
CL000263 NCI-H295R
 Cell Line Info 
Homo sapiens (Human)  1
1
IC50 = 9 nM
 Bioactivity Info 
   TI
   LI
   LO
   TS
Biochemical Assays
1 IC50 = 0.2 nM
2 IC50 = 0.7 nM
Clinical Information about the Compound
Drug 1 ( Osilodrostat )
Drug Name Osilodrostat
Company Novartis Pharmaceuticals
Indication
Cushing disease
Approved
Target(s)
Steroid 11-beta-hydroxylase (CYP11B1)
 Target Info 
Modulator