KT203
General
Type : Piperidine,Triazol
Chemical_Nomenclature : 3-[4-[1-(2-benzylpiperidine-1-carbonyl)triazol-4-yl]phenyl]benzoic acid
Canonical SMILES : C1CCN(C(C1)CC2=CC=CC=C2)C(=O)N3C=C(N=N3)C4=CC=C(C=C4)C5=CC(=CC=C5)C(=O)O
InChI : InChI=1S\/C28H26N4O3\/c33-27(34)24-10-6-9-23(18-24)21-12-14-22(15-13-21)26-19-32(30-29-26)28(35)31-16-5-4-11-25(31)17-20-7-2-1-3-8-20\/h1-3,6-10,12-15,18-19,25H,4-5,11,16-17H2,(H,33,34)
InChIKey : SSSCOJOXPDDHOO-UHFFFAOYSA-N
Other name(s) : KT-203,CHEMBL3263582,MLS004256821
MW : 466.5
Formula : C28H26N4O3
CAS_number : 1402612-64-9
PubChem : 53364510
UniChem : SSSCOJOXPDDHOO-UHFFFAOYSA-N
IUPHAR :
Wikipedia :
Target
References (5)
| Title : Identification of SARS-CoV-2 Cell Entry Inhibitors by Drug Repurposing Using in silico Structure-Based Virtual Screening Approach - Choudhary_2020_Front.Immunol_11_1664 |
| Author(s) : Choudhary S , Malik YS , Tomar S |
| Ref : Front Immunol , 11 :1664 , 2020 |
| Abstract : Choudhary_2020_Front.Immunol_11_1664 |
| ESTHER : Choudhary_2020_Front.Immunol_11_1664 |
| PubMedSearch : Choudhary_2020_Front.Immunol_11_1664 |
| PubMedID: 32754161 |
| Title : Re-examining the potential of targeting ABHD6 in multiple sclerosis: Efficacy of systemic and peripherally restricted inhibitors in experimental autoimmune encephalomyelitis - Manterola_2018_Neuropharmacol_141_181 |
| Author(s) : Manterola A , Bernal-Chico A , Cipriani R , Ruiz A , Perez-Samartin A , Moreno-Rodriguez M , Hsu KL , Cravatt BF , Brown JM , Rodriguez-Puertas R , Matute C , Mato S |
| Ref : Neuropharmacology , 141 :181 , 2018 |
| Abstract : Manterola_2018_Neuropharmacol_141_181 |
| ESTHER : Manterola_2018_Neuropharmacol_141_181 |
| PubMedSearch : Manterola_2018_Neuropharmacol_141_181 |
| PubMedID: 30171986 |
| Gene_locus related to this paper: human-ABHD6 |
| Title : An in vivo multiplexed small-molecule screening platform - Gruner_2016_Nat.Methods_13_883 |
| Author(s) : Gruner BM , Schulze CJ , Yang D , Ogasawara D , Dix MM , Rogers ZN , Chuang CH , McFarland CD , Chiou SH , Brown JM , Cravatt BF , Bogyo M , Winslow MM |
| Ref : Nat Methods , 13 :883 , 2016 |
| Abstract : Gruner_2016_Nat.Methods_13_883 |
| ESTHER : Gruner_2016_Nat.Methods_13_883 |
| PubMedSearch : Gruner_2016_Nat.Methods_13_883 |
| PubMedID: 27617390 |
| Title : Comparative molecular field analysis and molecular dynamics studies of alpha\/beta hydrolase domain containing 6 (ABHD6) inhibitors - Kaczor_2015_J.Mol.Model_21_2789 |
| Author(s) : Kaczor AA , Targowska-Duda KM , Patel JZ , Laitinen T , Parkkari T , Adams Y , Nevalainen TJ , Poso A |
| Ref : J Mol Model , 21 :2789 , 2015 |
| Abstract : Kaczor_2015_J.Mol.Model_21_2789 |
| ESTHER : Kaczor_2015_J.Mol.Model_21_2789 |
| PubMedSearch : Kaczor_2015_J.Mol.Model_21_2789 |
| PubMedID: 26350245 |
| Title : Discovery and optimization of piperidyl-1,2,3-triazole ureas as potent, selective, and in vivo-active inhibitors of alpha\/beta-hydrolase domain containing 6 (ABHD6) - Hsu_2013_J.Med.Chem_56_8270 |
| Author(s) : Hsu KL , Tsuboi K , Chang JW , Whitby LR , Speers AE , Pugh H , Cravatt BF |
| Ref : Journal of Medicinal Chemistry , 56 :8270 , 2013 |
| Abstract : Hsu_2013_J.Med.Chem_56_8270 |
| ESTHER : Hsu_2013_J.Med.Chem_56_8270 |
| PubMedSearch : Hsu_2013_J.Med.Chem_56_8270 |
| PubMedID: 24152295 |