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
CHEMBL124969
CAS Number
303-48-0
TTD ID
D0L4CI
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
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
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.