Details of the Drug

General Information of Drug (ID: DMZYRI3)

Drug Name
S-3536
Indication
Disease Entry ICD 11 Status REF
Osteoarthritis FA00-FA05 Discontinued in Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 159.18
Logarithm of the Partition Coefficient (xlogp) 2.2
Rotatable Bond Count (rotbonds) 1
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C10H9NO
IUPAC Name
6-methoxyisoquinoline
Canonical SMILES
COC1=CC2=C(C=C1)C=NC=C2
InChI
InChI=1S/C10H9NO/c1-12-10-3-2-9-7-11-5-4-8(9)6-10/h2-7H,1H3
InChIKey
XZNUJESLPUNSNO-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
11040978
CAS Number
52986-70-6
TTD ID
D08NES

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Matrix metalloproteinase (MMP) TT1GHVO NOUNIPROTAC Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800019710)
2 CIINE Reflects Collagenase-Specific CII Breakdown in Cartilage Explant and Whole Body of Canine. Biomark Insights. 2013; 8: 77-83.