Details of the Drug

General Information of Drug (ID: DM05MCO)

Drug Name
Inaperisone
Synonyms Inapen; Inapene; Rilan; Riran; Inaperison HCl; Inaperisone hydrochloride; HN-770; HSR-770; HY-770; YM-170; YM-18170; 118230-97-]]]
Indication
Disease Entry ICD 11 Status REF
Pollakiuria MF50.1 Discontinued in Preregistration [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 245.36
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C16H23NO
IUPAC Name
1-(4-ethylphenyl)-2-methyl-3-pyrrolidin-1-ylpropan-1-one
Canonical SMILES
CCC1=CC=C(C=C1)C(=O)C(C)CN2CCCC2
InChI
InChI=1S/C16H23NO/c1-3-14-6-8-15(9-7-14)16(18)13(2)12-17-10-4-5-11-17/h6-9,13H,3-5,10-12H2,1-2H3
InChIKey
VNFAARJCGSAROU-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
65860
ChEBI ID
CHEMBL134999
CAS Number
99323-21-4
TTD ID
D06TVG
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
Nicotinic acetylcholine receptor (nAChR) TTJSZTB 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 800003120)
2 Inhibitory effect of inaperisone hydrochloride (inaperisone), a new centrally acting muscle relaxant, on the micturition reflex. Eur J Pharmacol. 1992 Mar 31;213(3):409-15.