Details of the Drug

General Information of Drug (ID: DMCOKFY)

Drug Name
Beloxepin
Synonyms ADL-6906; Beloxepin (oral, pain); Beloxepin (oral, depression), Organon; Beloxepin (oral, pain), Adolor
Indication
Disease Entry ICD 11 Status REF
Depression 6A70-6A7Z Discontinued in Phase 1 [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 295.4
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C19H21NO2
IUPAC Name
(2R,7R)-4,16-dimethyl-14-oxa-4-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),8,10,12,15,17-hexaen-7-ol
Canonical SMILES
CC1=C2C(=CC=C1)[C@@H]3CN(CC[C@@]3(C4=CC=CC=C4O2)O)C
InChI
InChI=1S/C19H21NO2/c1-13-6-5-7-14-16-12-20(2)11-10-19(16,21)15-8-3-4-9-17(15)22-18(13)14/h3-9,16,21H,10-12H2,1-2H3/t16-,19-/m0/s1
InChIKey
RPMDQAYGQBREBS-LPHOPBHVSA-N
Cross-matching ID
PubChem CID
166560
CAS Number
135928-30-2
TTD ID
D0W2PK

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 2 receptor (5HT2R) TTYSN63 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 800001334)
2 WO patent application no. 2009,1055,07, Beloxepin, its enantiomers, and analogs thereof for the treatment of pain.