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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2104745
CHEMBL2104745
Compound Name PAGOCLONE
ChEMBL Synonyms PAGOCLONE | IP 456 | RP 62955
Max Phase 2
Trade Names
Molecular Formula C23H22ClN3O2

Additional synonyms for CHEMBL2104745 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)CCC(=O)CC1N(C(=O)c2ccccc12)c3ccc4ccc(Cl)nc4n3
Standard InChI InChI=1S/C23H22ClN3O2/c1-14(2)7-10-16(28)13-19-17-5-3-4-6-18 ...
Download InChI
Standard InChI Key HIUPRQPBWVEQJJ-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2104745

Molecule Features

CHEMBL2104745 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
PREMATURE EJACULATIOND061686HP:0012876PREMATURE EJACULATION2ClinicalTrials

Clinical Data

ClinicalTrials.gov PAGOCLONE
The Cochrane Collaboration PAGOCLONE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
407.9 407.1401 4.91 6 63.16 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 5 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.62 3.31 3.31 3 29 0.55

Structural Alerts

There are 8 structural alerts for CHEMBL2104745. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:HIUPRQPBWVEQJJ-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2104745



ACToR 133737-32-3 133737-48-1
DrugBank DB04903
eMolecules 36367170
IBM Patent System D4BB9F9646B0D79B8C274FFEE987A756
Nikkaji J481.630G
PubChem 131664
PubChem: Drugs of the Future 12014496
PubChem: Thomson Pharma 14879548
SureChEMBL SCHEMBL449997

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