Details of the Drug

General Information of Drug (ID: DMC04SR)

Drug Name
LB-100
Indication
Disease Entry ICD 11 Status REF
Astrocytoma 2A00.0Y Phase 2 [1]
Solid tumour/cancer 2A00-2F9Z Phase 1 [2]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 268.31
Logarithm of the Partition Coefficient (xlogp) -3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C13H20N2O4
IUPAC Name
3-(4-methylpiperazine-1-carbonyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
Canonical SMILES
CN1CCN(CC1)C(=O)C2C3CCC(C2C(=O)O)O3
InChI
InChI=1S/C13H20N2O4/c1-14-4-6-15(7-5-14)12(16)10-8-2-3-9(19-8)11(10)13(17)18/h8-11H,2-7H2,1H3,(H,17,18)
InChIKey
JUQMLSGOTNKJKI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
3578572
UNII
0C1JUU9S0L
DrugBank ID
DB15412
TTD ID
D02RNR
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
Serine/threonine PP2A (PP2A) TTRKDL6 NOUNIPROTAC Inhibitor [3]
Serine/threonine PP2A-alpha (PPP2CA) TTHTKNY PP2AA_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT03027388) Protein Phosphatase 2A Inhibitor, in Recurrent Glioblastoma. U.S. National Institutes of Health.
2 Inhibition of protein phosphatase 2A enhances cytotoxicity and accessibility of chemotherapeutic drugs to hepatocellular carcinomas. Mol Cancer Ther. 2014 Aug;13(8):2062-72.
3 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)