fadrozole

Ligand id: 8311

Name: fadrozole

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 3
Hydrogen bond donors 0
Rotatable bonds 1
Topological polar surface area 41.61
Molecular weight 223.11
XLogP 2.73
No. Lipinski's rules broken 0

Molecular properties generated using the CDK

Classification
Compound class Synthetic organic
Approved drug? Yes (Japan only)
IUPAC Name
4-(5,6,7,8-tetrahydroimidazo[5,1-f]pyridin-5-yl)benzonitrile
International Nonproprietary Names
INN number INN
6632 fadrozole
Synonyms
Afema® | CGS 16949 A [1] | CGS-16949A | FAD 286 | FAD-286
Database Links
CAS Registry No. 102676-47-1 (source: Scifinder)
ChEMBL Ligand CHEMBL9298
GtoPdb PubChem SID 252166523
PubChem CID 59693
Search Google for chemical match using the InChIKey CLPFFLWZZBQMAO-UHFFFAOYSA-N
Search Google for chemicals with the same backbone CLPFFLWZZBQMAO
Search PubMed clinical trials fadrozole
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Search UniChem for chemical match using the InChIKey CLPFFLWZZBQMAO-UHFFFAOYSA-N
Search UniChem for chemicals with the same backbone CLPFFLWZZBQMAO
SynPHARM 81950 (in complex with CYP11B2)
Comments
Fadrozole was designed and reported as a selective aromatase (CYP19A1) inhibitor having only weak effects on aldosterone and cortisol production [1]. More recent evidence suggests that fadrozole is in fact a potent inhibitor of the cytochrome P450 enzymes, CYP11B1 (11-beta-hydroxylase) and CYP11B2 (aldosterone synthase) responsible for cortisol and aldosterone synthesis respectively [2].