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
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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.