Molecule Details
InChIKeyOZPFIJIOIVJZMN-SFHVURJKSA-N
Compound NameOrteronel
Canonical SMILESCNC(=O)c1ccc2cc([C@@]3(O)CCn4cncc43)ccc2c1
Clinical Status Data-mined Candidate
Targets (Human+Pathogen)2
Pfam Stratification Homologous
Avg pChEMBL7.98
SourceChEMBL;BindingDB
2D Structure
2D structure
Activity Profile
DrugBank Annotations
DrugBank ID DB12066
Drug NameOrteronel
CAS Number566939-85-3
Groups investigational
ATC Codes nan
DescriptionOrteronel has been investigated for the treatment of Prostate Cancer.
Cross-references: BindingDB: 50358201 CHEMBL1921976 ChemSpider: 7972356 PDB: 7D6 PubChem:9796590 PubChem:347828375 Wikipedia: Orteronel ZINC: ZINC000003943521
Target Activities (2)
Target Gene Organism Category Pfam pChEMBL Type Source
P08686 CYP21A2 Homo sapiens Human PF00067 8.4 IC50 ChEMBL;BindingDB
P05093 CYP17A1 Homo sapiens Human PF00067 7.6 IC50 ChEMBL;BindingDB
DrugBank Target Actions (1)
Target Gene Target Name Action Type
P05093 CYP17A1 Steroid 17-alpha-hydroxylase/17,20 lyase modulator targets