CHEBI:16664 - albendazole

Main ChEBI Ontology Automatic Xrefs
ChEBI Name albendazole
ChEBI ID CHEBI:16664
Definition A carbamate ester that is methyl 1H-benzimidazol-2-ylcarbamate substituted by a propylsulfanyl group at position 5. It is commonly used in the treatment of parasitic worm infestations.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:13751, CHEBI:22286, CHEBI:2545
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Formula C12H15N3O2S
Net Charge 0
Average Mass 265.33252
InChI InChI=1S/C12H15N3O2S/c1-3-6-18-8-4-5-9-10(7-8)14-11(13-9)15-12(16)17-2/h4-5,7H,3,6H2,1-2H3,(H2,13,14,15,16)
InChIKey HXHWSAZORRCQMX-UHFFFAOYSA-N
SMILES CCCSc1ccc2[nH]c(NC(=O)OC)nc2c1
Roles Classification
Biological Role(s): tubulin modulator
Any substance that interacts with tubulin to inhibit or promote polymerisation of microtubules.
microtubule-destabilising agent
Any substance that interacts with tubulin to inhibit polymerisation of microtubules.
fungicide
A substance used to destroy fungal pests.
(via benzimidazolylcarbamate fungicide )
(via carbamate fungicide )
Application(s): anthelminthic drug
Substance intended to kill parasitic worms (helminths).
fungicide
A substance used to destroy fungal pests.
(via benzimidazolylcarbamate fungicide )
(via carbamate fungicide )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing albendazole (CHEBI:16664) has role anthelminthic drug (CHEBI:35443)
albendazole (CHEBI:16664) has role microtubule-destabilising agent (CHEBI:61951)
albendazole (CHEBI:16664) has role tubulin modulator (CHEBI:60832)
albendazole (CHEBI:16664) is a benzimidazoles (CHEBI:22715)
albendazole (CHEBI:16664) is a benzimidazolylcarbamate fungicide (CHEBI:87064)
albendazole (CHEBI:16664) is a carbamate ester (CHEBI:23003)
Incoming albendazole S-oxide (CHEBI:16959) has functional parent albendazole (CHEBI:16664)
IUPAC Name
methyl [5-(propylsulfanyl)-1H-benzimidazol-2-yl]carbamate
Synonyms Sources
(5-(propylthio)-1H-benzimidazol-2-yl)carbamic acid methyl ester ChemIDplus
5-(propylthio)-2-carbomethoxyaminobenzimidazole ChemIDplus
Albendazole KEGG COMPOUND
albendazole UniProt
Albenza ChemIDplus
Eskazole ChemIDplus
O-methyl N-(5-(propylthio)-2-benzimidazolyl)carbamate ChemIDplus
Proftril ChemIDplus
Valbazen ChemIDplus
Zentel ChemIDplus
Database Links Databases
albendazole Alan Wood's Pesticides
Albendazole Wikipedia
ALBENDAZOLE MetaCyc
C01779 KEGG COMPOUND
D00134 KEGG DRUG
DB00518 DrugBank
HMDB14659 HMDB
View more database links
Registry Numbers Types Sources
54965-21-8 CAS Registry Number KEGG COMPOUND
54965-21-8 CAS Registry Number ChemIDplus
752696 Reaxys Registry Number Reaxys
752696 Beilstein Registry Number Beilstein
Citations Waiting for Citations Types Sources
22152396 PubMed citation CiteXplore
24403707 PubMed citation CiteXplore
24411094 PubMed citation CiteXplore
Last Modified
22 July 2015