Details of the Drug

General Information of Drug (ID: DMOHK1E)

Drug Name
Docosanol
Synonyms
Abreva; Debat; Doconsanol; Erazaban; Healip; Herepair; Lidakol; Lidavol; Tadenan; Behenic alcohol; Behenyl alcohol; Docosanol [USAN]; Docosyl alcohol; IK 2; Lanette 22; NAA 422; Stenol 1822; Stenol 1822A; Abreva (TN); Docosanol (USAN); Docosanol (VAN); Erazaban (TN); IK.2; N-Docosanol; Nacol 22-97; V-1326;BEHENYL ALCOHOL, 98%; Docosan-1-ol; Behenyl alcohol, Abreva, 1-Docosanol, Docosanol; Behenyl alcohol, AI3-36489, Behenic alcohol, 1-Docosanol, Docosyl alcohol, IK-2, Tadenan; 1-DOCOSANOL
Indication
Disease Entry ICD 11 Status REF
Herpes simplex virus infection 1F00 Approved [1]
Therapeutic Class
Antiviral Agents
Affected Organisms
Herpes simplex virus
ATC Code
D06BB11: Docosanol
D06BB: Antivirals
D06B: CHEMOTHERAPEUTICS FOR TOPICAL USE
D06: ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
D: DERMATOLOGICALS
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 2 Molecular Weight (mw) 326.6
Logarithm of the Partition Coefficient (xlogp) 10.5
Rotatable Bond Count (rotbonds) 20
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 1
Chemical Identifiers
Formula
C22H46O
IUPAC Name
docosan-1-ol
Canonical SMILES
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
InChIKey
NOPFSRXAKWQILS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
12620
ChEBI ID
CHEMBL1200453
CAS Number
661-19-8
UNII
9G1OE216XY
DrugBank ID
DB00632
TTD ID
D00AOJ
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Epstein-Barr virus Envelope glycoprotein gp340 (EBV BLLF1) TT1JL7D VGP3_EBVP3 Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 FDA Approved Drug Products from FDA Official Website. 2009. Application Number: (NDA) 020941.
2 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services.