Details of the Drug

General Information of Drug (ID: DMHI6GE)

Drug Name
Pirsidomine
Synonyms C87-3754; CAS-936
Indication
Disease Entry ICD 11 Status REF
Angina pectoris BA40 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 330.4
Logarithm of the Partition Coefficient (xlogp) 5.1
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C17H22N4O3
IUPAC Name
(1Z)-N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]oxadiazol-3-ium-5-yl]-4-methoxybenzenecarboximidate
Canonical SMILES
C[C@@H]1CCC[C@@H](N1[N+]2=NOC(=C2)/N=C(/C3=CC=C(C=C3)OC)\\[O-])C
InChI
InChI=1S/C17H22N4O3/c1-12-5-4-6-13(2)21(12)20-11-16(24-19-20)18-17(22)14-7-9-15(23-3)10-8-14/h7-13H,4-6H2,1-3H3/t12-,13+
InChIKey
TXPUBJSOHAMNEI-BETUJISGSA-N
Cross-matching ID
PubChem CID
9571076
CAS Number
132722-74-8
TTD ID
D0O2AG

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Guanylate cyclase (GC) TT6HPVC 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 800001151)
2 Activation of soluble guanylyl cyclase by the nitrovasodilator 3-morpholinosydnonimine involves formation of S-nitrosoglutathione. Mol Pharmacol. 1998 Jul;54(1):207-12.