X20403
General
Type : Pyridine, Triazol, Cyclopropyl
Chemical_Nomenclature : 4-(2-{(4M)-4-[(6M)-6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1H-1,2,3-triazol-1-yl}ethyl)-N-{[1-(methoxymethyl)cyclopropyl]methyl}-N-methylbenzamide
Canonical SMILES : CN(CC1(CC1)COC)C(=O)c2ccc(cc2)CCn3cc(nn3)c4ccc(nc4)c5cc(ccc5OC)OC
InChI : InChI=1S\/C31H35N5O4\/c1-35(20-31(14-15-31)21-38-2)30(37)23-7-5-22(6-8-23)13-16-36-19-28(33-34-36)24-9-11-27(32-18-24)26-17-25(39-3)10-12-29(26)40-4\/h5-12,17-19H,13-16,20-21H2,1-4H3
InChIKey : MGTHESHOEDYGFD-UHFFFAOYSA-N
Other name(s) : JS9 || 4-[2-[4-[6-(2,5-dimethoxyphenyl)pyridin-3-yl]-1,2,3-triazol-1-yl]ethyl]-~{N}-[[1-(methoxymethyl)cyclopropyl]methyl]-~{N}-methyl-benzamide
Target
References (1)
| Title : Inhibitors of the Thioesterase Activity of Mycobacterium tuberculosis Pks13 Discovered Using DNA-Encoded Chemical Library Screening - Krieger_2024_ACS.Infect.Dis__ |
| Author(s) : Krieger IV , Yalamanchili S , Dickson P , Engelhart CA , Zimmerman MD , Wood J , Clary E , Nguyen J , Thornton N , Centrella PA , Chan B , Cuozzo JW , Gengenbacher M , Guie MA , Guilinger JP , Bienstock C , Hartl H , Hupp CD , Jetson R , Satoh T , Yeoman JTS , Zhang Y , Dartois V , Schnappinger D , Keefe AD , Sacchettini JC |
| Ref : ACS Infect Dis , : , 2024 |
| Abstract : |
| PubMedSearch : Krieger_2024_ACS.Infect.Dis__ |
| PubMedID: 38577994 |