Details of the Drug

General Information of Drug (ID: DMD9ISG)

Drug Name
SM-88
Indication
Disease Entry ICD 11 Status REF
Pancreatic cancer 2C10 Phase 2/3 [1]
Prostate cancer 2C82.0 Phase 2 [2]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 195.21
Logarithm of the Partition Coefficient (xlogp) -1.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C10H13NO3
IUPAC Name
2-amino-3-(4-hydroxyphenyl)-2-methylpropanoic acid
Canonical SMILES
CC(CC1=CC=C(C=C1)O)(C(=O)O)N
InChI
InChI=1S/C10H13NO3/c1-10(11,9(13)14)6-7-2-4-8(12)5-3-7/h2-5,12H,6,11H2,1H3,(H,13,14)
InChIKey
NHTGHBARYWONDQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3125
CAS Number
658-48-0
TTD ID
D03ZDX
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
Free radical (FRD) TT8E7Z0 NOUNIPROTAC Stimulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT03512756) A Randomized Phase 2/3 Multi-Center Study of SM-88 in Patients With Metastatic Pancreatic Cancer. U.S. National Institutes of Health.
2 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)