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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 SEMICID | EMKO | Delfen | NONOXYNOL-9 | GYNOL II | CONCEPTROL | TODAY SPONGE | Today | NONYLPHENOXYPOLYETHOXYETHANOL | INTERCEPT | NONOXYNOL 9 | NONOXINOL 9
Max Phase 4 (Approved)
Trade Names Today | 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

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

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

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 ZINC08214629

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