Z3J-Cmpd6-7M7V
General
Type : Carboxamide,Benzofuran
Chemical_Nomenclature : 5-hydroxy-2-(4-hydroxyphenyl)-N-methyl-4-(2-oxa-7-azaspiro[3.4]octan-7-ylmethyl)-1-benzofuran-3-carboxamide
Canonical SMILES :
InChI : InChI=1S\/C23H24N2O5\/c1-24-22(28)20-19-16(10-25-9-8-23(11-25)12-29-13-23)17(27)6-7-18(19)30-21(20)14-2-4-15(26)5-3-14\/h2-7,26-27H,8-13H2,1H3,(H,24,28)
InChIKey : VXMQXQJRVCOGAY-UHFFFAOYSA-N
Other name(s) : Z3J
MW : 408.4
Formula : C23H24N2O5
CAS_number :
PubChem : 162624744
UniChem : VXMQXQJRVCOGAY-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
Families : Z3J-Cmpd6-7M7V ligand of proteins in family: Thioesterase
Stucture : 7M7V Crystal Structure of Mtb Pks13 Thioesterase domain in complex with Compound 6 Optimization of TAM16
Protein : myctu-PKS13
References (1)
| Title : Optimization of TAM16, a Benzofuran That Inhibits the Thioesterase Activity of Pks13\; Evaluation toward a Preclinical Candidate for a Novel Antituberculosis Clinical Target - Wilson_2022_J.Med.Chem_65_409 |
| Author(s) : Wilson C , Ray P , Zuccotto F , Hernandez J , Aggarwal A , Mackenzie C , Caldwell N , Taylor M , Huggett M , Mathieson M , Murugesan D , Smith A , Davis S , Cocco M , Parai MK , Acharya A , Tamaki F , Scullion P , Epemolu O , Riley J , Stojanovski L , Lopez-Roman EM , Torres-Gomez PA , Toledo AM , Guijarro-Lopez L , Camino I , Engelhart CA , Schnappinger D , Massoudi LM , Lenaerts A , Robertson GT , Walpole C , Matthews D , Floyd D , Sacchettini JC , Read KD , Encinas L , Bates RH , Green SR , Wyatt PG |
| Ref : Journal of Medicinal Chemistry , 65 :409 , 2022 |
| Abstract : Wilson_2022_J.Med.Chem_65_409 |
| ESTHER : Wilson_2022_J.Med.Chem_65_409 |
| PubMedSearch : Wilson_2022_J.Med.Chem_65_409 |
| PubMedID: 34910486 |
| Gene_locus related to this paper: myctu-PKS13 |