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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2106574
CHEMBL2106574
Compound Name DAPOXETINE HYDROCHLORIDE
ChEMBL Synonyms PRILIGY | DAPOXETINE HYDROCHLORIDE
Max Phase 4 (Approved)
Trade Names PRILIGY
Molecular Formula C21H24ClNO

Additional synonyms for CHEMBL2106574 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.CN(C)[C@@H](CCOc1cccc2ccccc12)c3ccccc3
Standard InChI InChI=1S/C21H23NO.ClH/c1-22(2)20(18-10-4-3-5-11-18)15-16-23- ...
Download InChI
Standard InChI Key IHWDIQRWYNMKFM-BDQAORGHSA-N

Sources

  • British National Formulary
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2106574

Molecule Features

CHEMBL2106574 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Single Stereoisomer Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Clinical Data

ClinicalTrials.gov DAPOXETINE HYDROCHLORIDE
The Cochrane Collaboration DAPOXETINE HYDROCHLORIDE

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL2106574. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL312 Arachidonate 5-lipoxygenase Rattus norvegicus 0.342

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
305.4 305.178 4.91 6 12.47 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 0 0 2 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.38 4.28 3.26 3 23 0.64

Structural Alerts

There are no structural alerts for CHEMBL2106574

Compound Cross References

ChemSpider ChemSpider:IHWDIQRWYNMKFM-BDQAORGHSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2106574



ACToR 129938-20-1
ChemicalBook CB4346685
eMolecules 30513184
FDA SRS U4OHT63MRI
MolPort MolPort-003-846-134
PubChem 71352 67108443
PubChem: Drugs of the Future 12014334
PubChem: Thomson Pharma 14875757
Selleck Dapoxetine-hydrochloride(Priligy)
SureChEMBL SCHEMBL119037

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/IHWDIQRWYNMKFM-BDQAORGHSA-N spacer
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