DOCOSANOL

Search structure
Trade Names:
Synonyms:
Status: Approved (2000)
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: D06BB11
UNII: 9G1OE216XY

Structure
InChI Key NOPFSRXAKWQILS-UHFFFAOYSA-N
Smile CCCCCCCCCCCCCCCCCCCCCCO
InChI
InChI=1S/C22H46O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h23H,2-22H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H46O
Molecular Weight 326.61
AlogP 7.8
Hydrogen Bond Acceptor 1.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 20.0
Polar Surface Area 20.23
Molecular species NEUTRAL
Aromatic Rings 0.0
Heavy Atoms 23.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Envelope glycoprotein inhibitor Other PubMed PubMed PubMed Wikipedia

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Herpes Simplex 2 D006561 ClinicalTrials

Related Entries

MCS

Adverse Reactions

SOC By Demographic Distribution
System Organ Classification (SOC)
Relative Frequency (%)
General disorders and administration site conditions
30.55
Injury, poisoning and procedural complications
19.97
Gastrointestinal disorders
16.5
Skin and subcutaneous tissue disorders
9.8
Infections and infestations
9.71
Product issues
4.72
Immune system disorders
3.95
Nervous system disorders
2.03

Cross References

Resources Reference
CAS NUMBER 661-19-8
ChEBI 31000
ChEMBL CHEMBL1200453
DrugBank DB00632
DrugCentral 940
EPA CompTox DTXSID4027286
FDA SRS 9G1OE216XY
Human Metabolome Database HMDB0014770
PharmGKB PA164749211
PubChem 12620
SureChEMBL SCHEMBL51925
ZINC ZINC000006920384
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