Details of the Drug

General Information of Drug (ID: DMIESYM)

Drug Name
Desmethylclomipramine
Synonyms
Desmethylclomipramine; Norclomipramine; UNII-01DN47PPQG; 01DN47PPQG; N-Demethylclomipramine; Demethylchlorimipramine; Desmethylchlorimipramine; AC1LDNXR; SCHEMBL11384662; VPIXQGUBUKFLRF-UHFFFAOYSA-N; CHEBI:124969; ZINC2570877; API0007900; BRD-K52696183-003-01-0; 5H-Dibenz(b,f)azepine-5-propanamine, 3-chloro-10,11-dihydro-N-methyl-; 3-Chloro-10,11-dihydro-N-methyl-5H-dibenz(b,f)azepine-5-propanamine; 3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 300.8
Logarithm of the Partition Coefficient (xlogp) 4.7
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C18H21ClN2
IUPAC Name
3-(2-chloro-5,6-dihydrobenzo[b][1]benzazepin-11-yl)-N-methylpropan-1-amine
Canonical SMILES
CNCCCN1C2=CC=CC=C2CCC3=C1C=C(C=C3)Cl
InChI
InChI=1S/C18H21ClN2/c1-20-11-4-12-21-17-6-3-2-5-14(17)7-8-15-9-10-16(19)13-18(15)21/h2-3,5-6,9-10,13,20H,4,7-8,11-12H2,1H3
InChIKey
VPIXQGUBUKFLRF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
622606
ChEBI ID
CHEBI:124969
CAS Number
303-48-0
TTD ID
D0L4CI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Monoamine uptake (MA uptake) TTJXYQ6 NOUNIPROTAC Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Do alpha2-adrenoceptors play an integral role in the antinociceptive mechanism of action of antidepressant compounds Eur J Pharmacol. 1999 Aug 6;378(2):161-8.