Details of the Drug

General Information of Drug (ID: DMYR2U3)

Drug Name
Lurosetron
Synonyms Lurosetron mesylate; GR-87442; GR-87442N
Indication
Disease Entry ICD 11 Status REF
Vomiting MD90 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 312.34
Logarithm of the Partition Coefficient (xlogp) 1.7
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C17H17FN4O
IUPAC Name
6-fluoro-5-methyl-2-[(5-methyl-1H-imidazol-4-yl)methyl]-3,4-dihydropyrido[4,3-b]indol-1-one
Canonical SMILES
CC1=C(N=CN1)CN2CCC3=C(C2=O)C4=C(N3C)C(=CC=C4)F
InChI
InChI=1S/C17H17FN4O/c1-10-13(20-9-19-10)8-22-7-6-14-15(17(22)23)11-4-3-5-12(18)16(11)21(14)2/h3-5,9H,6-8H2,1-2H3,(H,19,20)
InChIKey
NUMKWGDDRWJQMY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
172999
CAS Number
128486-54-4
TTD ID
D0T1MP

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 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 800002948)
2 US patent application no. 7,932,267, Use of α-glucosidase inhibitors to treat alphavirus infections.