General
Preferred name
TAK-700
Synonyms
(S/R)-Orteronel ()
ORTERONEL ()
P&D ID
PD011096
CAS
426219-18-3
Tags
available
drug candidate
Drug indication
Prostate cancer
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
TAK-700 (Orteronel) is a potent and highly selective human 17,20-lyase inhibitor with IC50 of 38 nM, exhibits >1000-fold selectivity over other CYPs (e.g. 11-hydroxylase and CYP3A4). It completed two phase III clinical trials for metastatic, hormone-refractory prostate cancer but failed to extend overall survival rates, and development was voluntarily terminated as a result.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
BOC Sciences Bioactive Compounds
DrugMAP
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
15
Molecular Weight
307.13
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
2
Ring Count
4
Aromatic Ring Count
3
cLogP
2.04
TPSA
67.15
Fraction CSP3
0.22
Chiral centers
1.0
Largest ring
6.0
QED
0.76
QED
0.76
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolism
Target
17,20-lyase (Human) , 17,20-lyase (Rat)
Androgen Receptor,P450 (e.g. CYP17)
Source data
