Details of the Drug

General Information of Drug (ID: DMW9H7M)

Drug Name
Propiram fumarate
Synonyms Algeril; Diramax; Dirame; Diramine; Diratab; Propiram; FBA-4503
Indication
Disease Entry ICD 11 Status REF
Cancer related pain MG30 Discontinued in Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 391.5
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 7
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
ADMET Property
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 9.0778 micromolar/kg/day [2]
Chemical Identifiers
Formula
C20H29N3O5
IUPAC Name
(E)-but-2-enedioic acid;N-(1-piperidin-1-ylpropan-2-yl)-N-pyridin-2-ylpropanamide
Canonical SMILES
CCC(=O)N(C1=CC=CC=N1)C(C)CN2CCCCC2.C(=C/C(=O)O)\\C(=O)O
InChI
InChI=1S/C16H25N3O.C4H4O4/c1-3-16(20)19(15-9-5-6-10-17-15)14(2)13-18-11-7-4-8-12-18;5-3(6)1-2-4(7)8/h5-6,9-10,14H,3-4,7-8,11-13H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey
WQTLOZFMTGYQDX-WLHGVMLRSA-N
Cross-matching ID
PubChem CID
6433584
CAS Number
13717-04-9
TTD ID
D08LIF

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Opioid receptor (OPR) TTN4QDT NOUNIPROTAC Modulator [3]
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 800003460)
2 Estimating the safe starting dose in phase I clinical trials and no observed effect level based on QSAR modeling of the human maximum recommended daily dose
3 The relative analgesic efficacy of propiram fumarate, codeine, aspirin, and placebo in post-impaction dental pain. J Clin Pharmacol. 1984 Jan;24(1):35-42.