X20419
General
Type : Piperazine, Piperidine, Pyrimidine, Carboxamide, Indole
Chemical_Nomenclature : N-benzyl-2-{4-[4-(4,5-dimethoxy-1H-indole-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl}-6-methylpyrimidine-4-carboxamide
Canonical SMILES : Cc1cc(nc(n1)N2CCC(CC2)C(=O)N3CCN(CC3)C(=O)c4cc5c([nH]4)ccc(c5OC)OC)C(=O)NCc6ccccc6
InChI : InChI=1S\/C34H39N7O5\/c1-22-19-27(31(42)35-21-23-7-5-4-6-8-23)38-34(36-22)41-13-11-24(12-14-41)32(43)39-15-17-40(18-16-39)33(44)28-20-25-26(37-28)9-10-29(45-2)30(25)46-3\/h4-10,19-20,24,37H,11-18,21H2,1-3H3,(H,35,42)
InChIKey : PJHZEAWAAMNJHJ-UHFFFAOYSA-N
Other name(s) : JR0 || 2-[4-[4-[(4,5-dimethoxy-1~{H}-indol-2-yl)carbonyl]piperazin-1-yl]carbonylpiperidin-1-yl]-6-methyl-~{N}-(phenylmethyl)pyrimidine-4-carboxamide
MW : 625.71
Formula : C34H39N7O5
CAS_number :
PubChem : 171362237
UniChem : PJHZEAWAAMNJHJ-UHFFFAOYSA-N
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 |