General
Preferred name
DOCOSANOL
Synonyms
V-1326 ()
LIDAKOL ()
Behenic alcohol ()
Behenyl alcohol ()
n-Docosanol ()
1-Docosanol ()
NSC-8407 ()
Abreva ()
Stenol 1822 ()
P&D ID
PD000308
CAS
30303-65-2
661-19-8
Tags
available
drug
Approved by
FDA
First approval
2000
Drug indication
Herpes simplex virus infection
viral disease
Drug Status
approved
investigational
Max Phase
4.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PRICE 29
DESCRIPTION Docosanol is a saturated fatty alcoholused traditionally as an emollient, emulsifier, and thickener in cosmetics, nutritional supplement. (BOC Sciences Bioactive Compounds)
DESCRIPTION 1-Docosanol (Behenic alcohol) is a saturated 22-carbon aliphatic alcohol with antiviral activity. 1-Docosanol has a distinct mechanism of action and inhibits fusion between the plasma membrane and the herpes simplex virus envelope, thereby preventing viral entry into cells and subsequent viral activity and replication. 1-Docosanol is used topically in the treatment of recurrent herpes simplex labialis episodes and relieves associated pain and may help heal sores faster. (TargetMol Bioactive Compound Library)
Compound Sets
19
AdooQ Bioactive Compound Library
A10327
BOC Sciences Bioactive Compounds
1-docosanol-cas-661-19-8-74690
Cayman Chemical Bioactives
23793
ChEMBL Approved Drugs
CHEMBL1200453
ChEMBL Drugs
CHEMBL1200453
Drug Repurposing Hub
DrugBank
DB00632
DrugBank Approved Drugs
DB00632
DrugCentral
940
DrugCentral Approved Drugs
940
DrugMAP
DMOHK1E
DrugMAP Approved Drugs
DMOHK1E
DrugMatrix
MedChem Express Bioactive Compound Library
HY-B0222
NCATS Inxight Approved Drugs
9G1OE216XY
NPC Screening Collection
ReFrame library
TargetMol Bioactive Compound Library
T0884
The Spectrum Collection
External IDs
43
Properties
(calculated by RDKit )
Molecular Weight
326.35
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
20
Ring Count
0
Aromatic Ring Count
0
cLogP
7.8
TPSA
20.23
Fraction CSP3
1.0
Chiral centers
0.0
Largest ring
0.0
QED
0.23
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Microbiology/virology
Anti-infection
MOA
Antifection inhibitor
lipase clearing factor inhibitor
Indication
cold sore
Target
TLR7
HSV
GP340
GP350
Therapeutic Class
Antiviral Agents
Solubility
In Vitro:<br/>Ethanol: 50 mg/mL(153.09 mM
Need ultrasonic)<br/>DMSO: < 1 mg/mL(insoluble or slightly soluble)<br/>H2O: < 0.1 mg/mL(insoluble)<br/>In Vivo:<br/>1.Add each solvent one by one:10% EtOH >> 90% corn oil<br/>Solubility: ≥ 2.5 mg/mL (7.65 mM)
Clear solution
Source data