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
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
CHEBI:31000
CAS Number
661-19-8
DrugBank ID
DB00632
TTD ID
D00AOJ
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

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.