Details of the Drug

General Information of Drug (ID: DMDWYZS)

Drug Name
GTx-758
Indication
Disease Entry ICD 11 Status REF
Prostate cancer 2C82.0 Phase 2 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 341.3
Logarithm of the Partition Coefficient (xlogp) 4
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C19H13F2NO3
IUPAC Name
3-fluoro-N-(4-fluorophenyl)-4-hydroxy-N-(4-hydroxyphenyl)benzamide
Canonical SMILES
C1=CC(=CC=C1N(C2=CC=C(C=C2)F)C(=O)C3=CC(=C(C=C3)O)F)O
InChI
InChI=1S/C19H13F2NO3/c20-13-2-4-14(5-3-13)22(15-6-8-16(23)9-7-15)19(25)12-1-10-18(24)17(21)11-12/h1-11,23-24H
InChIKey
FBCQEUMZZNVQKD-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
46861578
CAS Number
938067-78-8
DrugBank ID
DB14969
TTD ID
D0E7FM

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Estrogen receptor (ESR) TTZAYWL ESR1_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01326312) Effect of GTx-758 on Total and Free Testosterone Levels in Men With Prostate Cancer. U.S. National Institutes of Health.
2 Selective estrogen receptor alpha agonist GTx-758 decreases testosterone with reduced side effects of androgen deprivation therapy in men with advanced prostate cancer. Eur Urol. 2015 Feb;67(2):334-41.