V95

methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate

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is present as a standalone ligand in 2 entries

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Chemical Component Summary
Name	methyl N-(6-benzoyl-1H-benzimidazol-2-yl)carbamate
Synonyms	Mebendazole; 4030
Identifiers	methyl ~{N}-[6-(phenylcarbonyl)-1~{H}-benzimidazol-2-yl]carbamate
Formula	C₁₆ H₁₃ N₃ O₃
Molecular Weight	295.293
Type	NON-POLYMER
Isomeric SMILES	COC(=O)Nc1[nH]c2cc(ccc2n1)C(=O)c3ccccc3
InChI	InChI=1S/C16H13N3O3/c1-22-16(21)19-15-17-12-8-7-11(9-13(12)18-15)14(20)10-5-3-2-4-6-10/h2-9H,1H3,(H2,17,18,19,21)
InChIKey	OPXLLQIJSORQAM-UHFFFAOYSA-N

Chemical Details
Formal Charge	0
Atom Count	35
Chiral Atom Count	0
Bond Count	37
Aromatic Bond Count	16

Drug Info: DrugBank

DrugBank ID	DB00643
Name	Mebendazole
Groups	approved vet_approved
Description	A benzimidazole that acts by interfering with carbohydrate metabolism and inhibiting polymerization of microtubules. [PubChem]
Synonyms	MBDZ Mebendazole (5-benzoyl-1H-benzimidazol-2-yl)-carbamic acid methyl ester Mebendazolum Mebendazol Mébendazole
Brand Names	Vermox Mebendazole Emverm
Indication	For the treatment of <i>Enterobius vermicularis</i> (pinworm), <i>Trichuris trichiura</i> (whipworm), <i>Ascaris lumbricoides</i> (common roundworm), <i>Ancylostoma duodenale</i> (common hookworm), <i>Necator americanus</i> (American hookworm) in single or mixed infections.
Categories	Acids, Acyclic Anthelmintics Anti-Infective Agents Antihelminthic Antimitotic Agents Antinematodal Agents Antiparasitic Agents Antiparasitic Products, Insecticides and Repellents Benzimidazole Derivatives Benzimidazoles Carbamates Heterocyclic Compounds, Fused-Ring Mitosis Modulators Tubulin Modulators
ATC-Code	P02CA51 P02CA01
CAS number	31431-39-7

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Tubulin alpha-1A chain	MRECISIHVGQAGVQIGNACWELYCLEHGIQPDGQMPSDKTIGGGDDSFN...	unknown	inhibitor
Tubulin beta-4B chain	MREIVHLQAGQCGNQIGAKFWEVISDEHGIDPTGTYHGDSDLQLERINVY...	unknown	inhibitor
Cytochrome P450 1A1	MLFPISMSATEFLLASVIFCLVFWVIRASRPQVPKGLKNPPGPWGWPLIG...	unknown	inducer
Cytochrome P450 3A Subfamily	MALIPDLAMETWLLLAVSLVLLYLYGTHSHGLFKKLGIPGPTPLPFLGNI...	unknown	substrate

Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682