UC1

2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE

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is present as a standalone ligand in 4 entries

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Chemical Component Summary
Name	2-METHYL-FURAN-3-CARBOTHIOIC ACID [4-CHLORO-3-(3-METHYL-BUT-2-ENYLOXY)-PHENYL]-AMIDE
Synonyms	UC781
Identifiers	N-[4-chloro-3-(3-methylbut-2-enoxy)phenyl]-2-methyl-furan-3-carbothioamide
Formula	C₁₇ H₁₈ Cl N O₂ S
Molecular Weight	335.848
Type	NON-POLYMER
Isomeric SMILES	Cc1c(cco1)C(=S)Nc2ccc(c(c2)OCC=C(C)C)Cl
InChI	InChI=1S/C17H18ClNO2S/c1-11(2)6-8-21-16-10-13(4-5-15(16)18)19-17(22)14-7-9-20-12(14)3/h4-7,9-10H,8H2,1-3H3,(H,19,22)
InChIKey	YZHIXLCGPOTQNB-UHFFFAOYSA-N

Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	41
Aromatic Bond Count	11

Drug Info: DrugBank

DrugBank ID	DB05871 ?
Name	UC-781
Groups	investigational
Description	UC-781 is a thiocarboxanilide non-nucleoside reverse transcriptase inhibitor (NNRTI). It is a topical microbicide targeted against the AIDS virus.
Synonyms	UC-781
Indication	Investigated for use/treatment in HIV infection.
Categories	Amides Anti-Infective Agents Anti-Retroviral Agents Antiviral Agents Sulfur Compounds
CAS number	178870-32-1

Drug Targets

Name	Target Sequence	Pharmacological Action	Actions
Gag-Pol polyprotein	MGARASVLSGGELDRWEKIRLRPGGKKKYKLKHIVWASRELERFAVNPGL...	unknown

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