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]
Affected Organisms
Humans and other mammals
ATC Code
G04BX14: Dapoxetine
G04BX: Other urologicals
G04B: UROLOGICALS
G04: UROLOGICALS
G: GENITO URINARY SYSTEM AND SEX HORMONES
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
UNII
GB2433A4M3
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.