Details of the Drug

General Information of Drug (ID: DMOTCIU)

Drug Name
Lerisetron
Synonyms Lerisetron[inn]; 1-benzyl-2-piperazin-1-ylbenzimidazole
Indication
Disease Entry ICD 11 Status REF
Nausea MD90 Phase 3 [1]
Testicular germ cell tumour 2C80.2 Phase 3 [1]
Vomiting MD90 Phase 3 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 292.4
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C18H20N4
IUPAC Name
1-benzyl-2-piperazin-1-ylbenzimidazole
Canonical SMILES
C1CN(CCN1)C2=NC3=CC=CC=C3N2CC4=CC=CC=C4
InChI
InChI=1S/C18H20N4/c1-2-6-15(7-3-1)14-22-17-9-5-4-8-16(17)20-18(22)21-12-10-19-11-13-21/h1-9,19H,10-14H2
InChIKey
PWWDCRQZITYKDV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
65997
CAS Number
143257-98-1
DrugBank ID
DB12964
TTD ID
D06QZL
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
5-HT 3 receptor (5HT3R) TTNXLKE NOUNIPROTAC Antagonist [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Emerging drugs for chemotherapy-induced emesis. Expert Opin Emerg Drugs. 2006 Mar;11(1):137-51.