Inhibitor Report for: Piperidinyl-1,2,3-triazole-urea-inhibitor-2
Piperidinyl-1,2,3-triazole-urea-inhibitor-2 | Type | Piperidine |
| | Urea derivative |
| | Triazol |
| Other_Name | BDBM195571 |
| | (R)-4'-(2-(2-phenylpiperidine-1-carbonyl)-2H-1,2,3-triazol-4-yl)-[1,1'-biphenyl]-4-carboxylic acid (2) |
| Chemical_Nomenclature | 4-[4-[2-[(2R)-2-phenylpiperidine-1-carbonyl]triazol-4-yl]phenyl]benzoic acid |
| Formula | C27H24N4O3 |
| MW | 452.51 |
| Pick_me_to_call | display_script | Piperidinyl-1,2,3-triazole-urea-inhibitor-2 |
| Paper | Ahn_2016_ACS.Chem.Biol_11_2529 |
| Structure | 5KRE |
| Comment | N1-substituted triazole urea previously disclosed as an inhibitor of ABHD6 KT195 was modified as N2-substituted isomer and shown to inhibit LYPLAL1. The compound 2 inhibited also other alpha/beta hydrolases and some SGNH hydrolase-type esterase (PAFAH1B2-3), but compound 11 and 12 are specific. The adduct in the structure is the small (R)-2-phenylpiperidine-1-carbonyl |
| Gene_locus | human-LYPLAL1 |
| CID | 122172786 |
| Family (5) |
| InChIKey | DMGNPPFKBOMVQC-RUZDIDTESA-N |
| CanonicalSMILES | C1CCN(C(C1)C2=CC=CC=C2)C(=O)N3N=CC(=N3)C4=CC=C(C=C4)C5=CC=C(C=C5)C(=O)O |
| InChI | InChI=1S/C27H24N4O3/c32-26(33)23-15-11-20(12-16-23)19-9-13-21(14-10-19)24-18-28-31(29-24)27(34)30-17-5-4-8-25(30)22-6-2-1-3-7-22/h1-3,6-7,9-16,18,25H,4-5,8,17H2,(H,32,33)/t25-/m1/s1 |
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