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> Main
CHEBI:16664 - albendazole
Main
ChEBI Ontology
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ChEBI Name
albendazole
ChEBI ID
CHEBI:16664
Definition
A carbamate ester that is methyl 1
H
-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
Supplier Information
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Formula
C12H15N3O2S
Net Charge
0
Average Mass
265.33252
Monoisotopic Mass
265.08850
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
aryl sulfide (
CHEBI:35683
)
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
)
hydroxyalbendazole (
CHEBI:140182
)
has functional parent
albendazole (
CHEBI:16664
)
IUPAC Name
methyl [5-(propylsulfanyl)-1
H
-benzimidazol-2-yl]carbamate
Synonyms
Sources
(5-(propylthio)-1
H
-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
Manual Xrefs
Databases
103
DrugCentral
895
VSDB
albendazole
Alan Wood's Pesticides
Albendazole
Wikipedia
ALBENDAZOLE
MetaCyc
C01779
KEGG COMPOUND
D00134
KEGG DRUG
DB00518
DrugBank
HMDB0014659
HMDB
LSM-3782
LINCS
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
Citations
Types
Sources
22152396
PubMed citation
Europe PMC
24403707
PubMed citation
Europe PMC
24411094
PubMed citation
Europe PMC
Last Modified
26 February 2018