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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 Today | Delfen | Semicid | Gynol II | Emko | Intercept | Nonylphenoxypolyethoxyethanol | Conceptrol | Nonoxinol 9 | Nonoxynol-9 | Today Sponge
Max Phase 4 (Approved)
Trade Names Emko | Today | Delfen | Semicid | Gynol II | Intercept | Conceptrol | Today Sponge
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

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

Structural Alerts

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

Alternate Forms of Compound in ChEMBL


CHEMBL1410

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

Compound Cross References

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

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1410



BindinDB 50442874
ChEBI 53775
DrugBank DB06804
Human Metabolome Database HMDB15680
IBM Patent System 5F64A93E380D45CC82978A9DA9F6561B
IBM Patents WO1999005909A1 US6156076 US20080160010 WO2004084879A1 US7476693 EP0874624B1 US20100135982 US6523540 US6583179 US20040009223 WO2001017480A2 WO2007044348A2 US6297278 EP2094169A1 EP2099435A2 WO1996010989A1 US5874071 US20070293837 US7135169 US20090317828 WO2004103232A1 US5112515 EP0247251A1 US6037360 US5545401 EP0676191A3 EP1297825B1 US20100135902 US20070054832 US5296375 WO2001007083A1 US20020114776 WO2002022626A1 US7785650 US6248789 US6837907 EP0640335B1 US6855702 WO2006060475A1 WO1993025208A1 US20100198191 WO2007101059A2 EP0824914A1 EP1988873A2 WO2007106944A1 US6635676 US6545007 EP1343502A2 US20030104018 EP0821584B1 EP1087800A1 EP1651274B1 US20040053339 EP0719545A1 US4322399 US20030075077 US6479232 US4755327 US5407919 WO2001070320A1 US5139532 WO2004018003A1 US20070274997 US20100222425 EP0631472B1 US20030018068 WO2005002471A1 EP1260219A2 US20060147405 WO2006086065A2 EP1559718A1 US7008628 US6809085 EP0065385A2 EP1646363A1 US20030232901 US20030104073 US5163448 US7285517 EP0884045A1 US20070077201 US20080108681 EP1721607A1 US20070259098 WO1996032271A1 US20090074688 US4532127 WO2007081579A2 US5814329 WO2009082433A2 US20070082035 US5635166 US6126959 US20070173515 US7659261 US6241529 US20080234720 US6015876 EP0765233A1 EP1140848A2
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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