General Information of Drug (ID: DMV7ZU0)

Drug Name
GS-6624
Indication
Disease Entry ICD 11 Status REF
Colorectal cancer 2B91.Z Phase 2 [1]
Drug Type
Antibody
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0
Molecular Weight 200.38
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 2
Hydrogen Bond Donor Count 3
Hydrogen Bond Acceptor Count 4
Chemical Identifiers
Formula
C7H6BClO4
IUPAC Name
4-borono-3-chlorobenzoic acid
Canonical SMILES
B(C1=C(C=C(C=C1)C(=O)O)Cl)(O)O
InChI
InChI=1S/C7H6BClO4/c9-6-3-4(7(10)11)1-2-5(6)8(12)13/h1-3,12-13H,(H,10,11)
InChIKey
FYDHSNLXZRGWFU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
17750227
TTD ID
D09NCU

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Lysyl oxidase homolog 2 (LOXL2) TTFSUHX LOXL2_HUMAN Not Available [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT01769196) A Phase 2 Study to See if Simtuzumab (GS-6624) is Safe and Works in Idiopathic Pulmonary Fibrosis (IPF). U.S. National Institutes of Health.
2 National Cancer Institute Drug Dictionary (drug id 681814).