NONOXYNOL 9

/static/temp/default.svg

Search structure


Synonyms	C-film Conceptrol Delfen Double check Duragel Emko Gygel Gynol 11 Gynol ii Igepal co-630 Intercept NSC-758941 Nonoxinol 9 Nonoxinolum 9 Nonoxynol 9 Nonoxynol-9 Nonoxynol-9.5 Nonylphenoxypolyethoxyethanol Norfox np-9 Ortho-creme Ortho-forms Peg-9 nonyl phenyl ether Prelude Semicid Tergitol np-9 Today Today sponge
Status
Molecule Category	Free-form
UNII	48Q180SH9T
EPA CompTox	DTXSID00858720


Active Pharmaceutical Ingredients Bioactive chemicals	Exact Similarity SubStructure	Threshold (%) >= 70

Structure


InChI Key	FBWNMEQMRUMQSO-UHFFFAOYSA-N
Smiles	CCCCCCCCCc1ccc(OCCOCCOCCOCCOCCOCCOCCOCCOCCO)cc1
InChI	InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3

Physicochemical Descriptors

Property Name	Value
Molecular Formula	C33H60O10
Molecular Weight	616.83
AlogP	4.48
Hydrogen Bond Acceptor	10.0
Hydrogen Bond Donor	1.0
Number of Rotational Bond	35.0
Polar Surface Area	103.3
Molecular species	NEUTRAL
Aromatic Rings	1.0
Heavy Atoms	43.0

Bioactivity

Mechanism of Action	Action	Reference
Cell membrane disrupting agent	DISRUPTING AGENT	PubMed

Targets	EC50(nM)	IC50(nM)	Kd(nM)	Ki(nM)	Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides	-	3467	-	1920	28

Assay Description	Organism	Bioactivity	Reference
Antifungal activity against Candida albicans after 48 hrs by broth micro dilution technique	Candida albicans	46.0 ug.mL-1
Antifungal activity against Candida albicans MTCC 183 after 48 hrs by broth micro dilution technique	Candida albicans	41.0 ug.mL-1
Antifungal activity against Candida albicans MTCC 1346 after 48 hrs by broth micro dilution technique	Candida albicans	50.0 ug.mL-1
Antifungal activity against Candida albicans ATCC 10231 after 48 hrs by broth micro dilution technique	Candida albicans	50.0 ug.mL-1
Antifungal activity against Candida krusei ATCC 6258 after 48 hrs by broth micro dilution technique	Pichia kudriavzevii	48.0 ug.mL-1
Antifungal activity against Candida parapsilosis ATCC 22019 after 48 hrs by broth micro dilution technique	Candida parapsilosis	47.0 ug.mL-1
Antifungal activity against Candida albicans ATCC 10453 after 48 hrs by broth micro dilution technique	Candida albicans	50.0 ug.mL-1
Antifungal activity against Candida albicans ATCC 60193 after 48 hrs by broth micro dilution technique	Candida albicans	50.0 ug.mL-1
Antifungal activity against Candida albicans ATCC 66027 after 48 hrs by broth micro dilution technique	Candida albicans	50.0 ug.mL-1
Cytotoxicity against human HeLa cells	Homo sapiens	33.0 ug.mL-1
Toxicity against Lactobacillus jensenii ATCC 25258	Lactobacillus jensenii	33.0 ug.mL-1
Cytotoxicity against human HeLa cells by MTT assay	Homo sapiens	33.2 ug.mL-1
Antimicrobial activity against Lactobacillus jensenii	Lactobacillus jensenii	32.5 ug.mL-1
Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	Cricetulus griseus	32.74 %
Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM	Cricetulus griseus	27.96 %
Growth inhibition of Lactobacillus acidophilus after 72 hrs by colony counting method	Lactobacillus acidophilus	21.0 ug.mL-1
Cytotoxicity against human HeLa cells after 24 hrs by LDH assay	Homo sapiens	37.0 ug.mL-1
Cytotoxicity against human HeLa cells	Homo sapiens	33.2 ug.mL-1

Related Entries

Cross References

Resources	Reference
ChEBI	53775
ChEMBL	CHEMBL1410
DrugBank	DB06804
FDA SRS	48Q180SH9T
Human Metabolome Database	HMDB0015680
PharmGKB	PA450648
SureChEMBL	SCHEMBL36844
ZINC	ZINC000008214629

CONTENTS

PREMIER has received funding from the Innovative Medicines Initiative 2 Joint Undertaking (JU) under grant agreement No 875508. The JU receives support from the EU’s Horizon 2020 research and innovation programme and the European Federation of Pharmaceutical Industries and Associations (EFPIA). The views reflect only the authors’ perspective and the JU is not responsible for any use that may be made of the information this manuscript contains.

Elements of the website have been developed under projects PREMIER and the Biocenter Finland Drug Discovery and Chemical Biology network. CSC-IT is thanked for providing computational resources. Content of the website is provided without guarantee for correctness. Data has been collected and integrated from multiple public sources, for the largest: FDA, HUGO Gene Nomenclature Committee, ChEMBL, IUPHAR/BPS guide to pharmacology, Reactome, UniProt, and Ensembl. Credit is given to Ensembl for collecting species images (provided under public domain licences such as Wikimedia and NHGRI).