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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1410
CHEMBL1410
Compound Name NONOXYNOL 9
ChEMBL Synonyms Delfen | SEMICID | EMKO | CONCEPTROL | Today | TODAY SPONGE | INTERCEPT | NONYLPHENOXYPOLYETHOXYETHANOL | NONOXYNOL-9 | GYNOL II | NONOXYNOL 9 | NONOXINOL 9
Max Phase 4 (Approved)
Trade Names TODAY SPONGE | Today | CONCEPTROL | EMKO | SEMICID | GYNOL II | INTERCEPT | Delfen
Molecular Formula C33H60O10

Additional synonyms for CHEMBL1410 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1
Standard InChI InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)4 ...
Download InChI
Standard InChI Key FBWNMEQMRUMQSO-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Harvard Malaria Screening
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1410

Molecule Features

CHEMBL1410 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:Y Black Box:N Availability Type:Over-The-Counter

Clinical Data

ClinicalTrials.gov NONOXYNOL 9
The Cochrane Collaboration NONOXYNOL 9

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
616.8 616.4186 4.36 35 103.3 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
10 1 1 10 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- - 4.02 4.02 1 43 0.11

Structural Alerts

There are 8 structural alerts for CHEMBL1410. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:FBWNMEQMRUMQSO-UHFFFAOYSA-N
PubChem SID: 26749924
Wikipedia Nonoxynol-9

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1410



BindingDB 50442874
ChEBI 53775
DrugBank DB06804
EPA CompTox Dashboard DTXSID00858720
Human Metabolome Database HMDB15680
IBM Patent System 5F64A93E380D45CC82978A9DA9F6561B
LINCS LSM-3971
Nikkaji J9.826D
PubChem 72385
PubChem: Thomson Pharma 14838768
SureChEMBL SCHEMBL36844
ZINC ZINC000008214629

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