NONOXYNOL 9

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key FBWNMEQMRUMQSO-UHFFFAOYSA-N
Smile 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

Pharmacology

Action Mechanism of Action Reference
DISRUPTING AGENT Cell membrane 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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
HIV Infections 3 D015658 ClinicalTrials
Pregnancy 3 D011247 ClinicalTrials
Hemorrhagic Fever, Ebola 1 D019142 ClinicalTrials

Cross References

Resources Reference
ChEBI 53775
ChEMBL CHEMBL1410
DrugBank DB06804
EPA CompTox DTXSID00858720
Human Metabolome Database HMDB0015680
PharmGKB PA450648
SureChEMBL SCHEMBL36844
ZINC ZINC000008214629
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