Details of the Drug

General Information of Drug (ID: DMTGBPW)

Drug Name
Pentisomide
Synonyms Penticainide; Propisomide; ME 3202; CM-7857
Indication
Disease Entry ICD 11 Status REF
Heart arrhythmia BC65 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 319.5
Logarithm of the Partition Coefficient (xlogp) 3.2
Rotatable Bond Count (rotbonds) 9
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H33N3O
IUPAC Name
2-[2-[di(propan-2-yl)amino]ethyl]-4-methyl-2-pyridin-2-ylpentanamide
Canonical SMILES
CC(C)CC(CCN(C(C)C)C(C)C)(C1=CC=CC=N1)C(=O)N
InChI
InChI=1S/C19H33N3O/c1-14(2)13-19(18(20)23,17-9-7-8-11-21-17)10-12-22(15(3)4)16(5)6/h7-9,11,14-16H,10,12-13H2,1-6H3,(H2,20,23)
InChIKey
ZZOZYGHXNQPIPS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
65847
CAS Number
78833-03-1
TTD ID
D0A9CY
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
Sodium channel unspecific (NaC) TTRK8B9 NOUNIPROTAC Modulator [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 800000271)
2 Antiarrhythmic effect related to the plasma concentration of pentisomide in vivo and the antiarrhythmic-concentration relationship in vitro. Drugs Exp Clin Res. 1995;21(4):145-51.