Details of the Drug

General Information of Drug (ID: DMGAPH1)

Drug Name
Befiperide
Indication
Disease Entry ICD 11 Status REF
Anxiety disorder 6B00-6B0Z Terminated [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 405.5
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C25H31N3O2
IUPAC Name
N-[2-[4-(1-benzofuran-7-yl)piperazin-1-yl]ethyl]-N-methyl-4-propan-2-ylbenzamide
Canonical SMILES
CC(C)C1=CC=C(C=C1)C(=O)N(C)CCN2CCN(CC2)C3=CC=CC4=C3OC=C4
InChI
InChI=1S/C25H31N3O2/c1-19(2)20-7-9-22(10-8-20)25(29)26(3)12-13-27-14-16-28(17-15-27)23-6-4-5-21-11-18-30-24(21)23/h4-11,18-19H,12-17H2,1-3H3
InChIKey
XZHMFCUWVDUYBV-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
182859
CAS Number
100927-14-8
TTD ID
D0IJ5I

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 1 receptor (5HT1R) TTWT5K7 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 800000673)
2 Behavioral Pharmacology of 5-ht. Paul Bevan, Paul Bevan Duphar, Alexander R. Cools. 2013. Figure(15.2).