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

Topological Polar Surface Area (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

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]

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Molecular Interaction Atlas (MIA)

MIA Detail

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.