Details of the Drug

General Information of Drug (ID: DMP8MDW)

Drug Name
GS-5745
Indication
Disease Entry ICD 11 Status REF
Gastric adenocarcinoma 2B72 Phase 3 [1]
Ulcerative colitis DD71 Phase 3 [2]
Crohn disease DD70 Phase 2 [2]
Solid tumour/cancer 2A00-2F9Z Phase 2 [3]
Rheumatoid arthritis FA20 Phase 1 [2]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 250.02
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C7H5BrFNO3
IUPAC Name
1-bromo-2-fluoro-4-methoxy-3-nitrobenzene
Canonical SMILES
COC1=C(C(=C(C=C1)Br)F)[N+](=O)[O-]
InChI
InChI=1S/C7H5BrFNO3/c1-13-5-3-2-4(8)6(9)7(5)10(11)12/h2-3H,1H3
InChIKey
LJJAOMRFFXQENV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
56776542
CAS Number
1352317-80-6
DrugBank ID
DB12296
TTD ID
D0WL0Q
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Matrix metalloproteinase-9 (MMP-9) TT6X50U MMP9_HUMAN Modulator [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Gastric adenocarcinoma
ICD Disease Classification 2B72
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Matrix metalloproteinase-9 (MMP-9) DTT MMP9 3.53E-54 2.03 1.94
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3 ClinicalTrials.gov (NCT02405442) Safety and Efficacy of GS-5745 in Participants With Moderately to Severely Active Crohn's Disease. U.S. National Institutes of Health.
4 National Cancer Institute Drug Dictionary (drug id 747683).