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Inhibitor Report for: I3-AG85

Inhibitor of Ag85C activity specific blockade of TDM synthesis and dose-dependent inhibition of M. tuberculosis division in broth culture


General
Type Cyanide, Sulfur Compound
Chemical_Nomenclature 2-amino-6-propyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile
Canonical SMILES CCCC1CCC2=C(C1)SC(=C2C#N)N
InChI InChI=1S/C12H16N2S/c1-2-3-8-4-5-9-10(7-13)12(14)15-11(9)6-8/h8H,2-6,14H2,1H3
InChIKey CMJOQDLSCOMRQU-UHFFFAOYSA-N
Other name(s) ST50944884 ; 2-amino-6-propyl-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carbonitrile ; CBMicro_031387 ; AC1MF18J
________________________________________________________________________________________________
MW|220.33
Formula|C12H16N2S
CAS_number|350996-91-7
PubChem|2887397
UniChem|CMJOQDLSCOMRQU-UHFFFAOYSA-N
IUPHAR|
Wikipedia|

Target
Families | I3-AG85 ligand of proteins in family: A85-Mycolyl-transferase
Protein | myctu-a85c

References:
Search PubMed for references concerning: I3-AG85
    Title: Antigen 85C inhibition restricts Mycobacterium tuberculosis growth through disruption of cord factor biosynthesis
    Warrier T, Tropis M, Werngren J, Diehl A, Gengenbacher M, Schlegel B, Schade M, Oschkinat H, Daffe M and Kaufmann SH <2 more author(s)>
    Ref: Antimicrobial Agents & Chemotherapy, 56:1735, 2012 : PubMed

            

    Title: Novel small molecule inhibitors of MDR Mycobacterium tuberculosis by NMR fragment screening of antigen 85C
    Scheich C, Puetter V, Schade M
    Ref: Journal of Medicinal Chemistry, 53:8362, 2010 : PubMed