Details of the Drug

General Information of Drug (ID: DMV6KFY)

Drug Name
Dapoxetine
Synonyms Priligy (TN)
Indication
Disease Entry ICD 11 Status REF
Premature ejaculation HA03.0Z Phase 4 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 305.4
Logarithm of the Partition Coefficient (xlogp) 5.1
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
Absorption
The drug is rapidly absorbed []
Half-life
The concentration or amount of drug in body reduced by one-half in 1 - 2 hours [2]
Chemical Identifiers
Formula
C21H23NO
IUPAC Name
(1S)-N,N-dimethyl-3-naphthalen-1-yloxy-1-phenylpropan-1-amine
Canonical SMILES
CN(C)[C@@H](CCOC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3
InChI
InChI=1S/C21H23NO/c1-22(2)20(18-10-4-3-5-11-18)15-16-23-21-14-8-12-17-9-6-7-13-19(17)21/h3-14,20H,15-16H2,1-2H3/t20-/m0/s1
InChIKey
USRHYDPUVLEVMC-FQEVSTJZSA-N
Cross-matching ID
PubChem CID
71353
ChEBI ID
CHEBI:135962
CAS Number
119356-77-3
DrugBank ID
DB04884
TTD ID
D0H5LK
INTEDE ID
DR0414
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4) DE4LYSA CP3A4_HUMAN Substrate [3]
Cytochrome P450 2D6 (CYP2D6) DECB0K3 CP2D6_HUMAN Substrate [4]
Dimethylaniline oxidase 1 (FMO1) DEJ73Q9 FMO1_HUMAN Substrate [3]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 7901).
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 Pharmacokinetics of single and multiple escalating doses of dapoxetine in healthy volunteers. Clinical Pharmacology Therapeutics, 2004, 75(2):P32.
4 Dapoxetine: a new option in the medical management of premature ejaculation. Ther Adv Urol. 2012 Oct;4(5):233-51.