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
UNII
406GR1485Z
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.