JZP-361
hMAGL, IC50=46nM), 150-fold higher selectivity over human recombinant fatty acid amide hydrolase (hFAAH, IC50=7.24muM) and 35-fold higher selectivity over human alpha/beta-hydrolase-6 (hABHD6, IC50=1.79muM). Additionally, compound 12a retained H1 antagonistic affinity (pA2=6.81). Derivative of Loratadine which is an Histamine receptor H1 antagonist
General
Type : Piperidine, Triazol, Urea derivative
Chemical_Nomenclature : [4-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-ylidene)piperidin-1-yl]-(1,2,4-triazol-1-yl)methanone
Canonical SMILES : C1CC2=C(C=CC(=C2)Cl)C(=C3CCN(CC3)C(=O)N4C=NC=N4)C5=C1C=CC=N5
InChI : InChI=1S\/C22H20ClN5O\/c23-18-5-6-19-17(12-18)4-3-16-2-1-9-25-21(16)20(19)15-7-10-27(11-8-15)22(29)28-14-24-13-26-28\/h1-2,5-6,9,12-14H,3-4,7-8,10-11H2
InChIKey : GAVZCGTYRWKKDV-UHFFFAOYSA-N
Other name(s) : JZP 361 || CHEMBL3401455 || [4-(8-Chloro-5,6-dihydro-11H-benzo[5,6]cyclohepta[1,2-b]pyridin-11-ylidene)-1-piperidinyl](1H-1,2,4-triazol-1-yl)methanone || SCHEMBL19745852 || Compound 12a
MW : 405.9
Formula : C22H20ClN5O
CAS_number : 1680193-80-9
PubChem : 102596130
UniChem : GAVZCGTYRWKKDV-UHFFFAOYSA-N
Target
Families : JZP-361 ligand of proteins in family
Monoglyceridelipase_lysophospholip
Protein :
human-MGLL
References (2)
| Title : Revisiting 1,3,4-Oxadiazol-2-ones: Utilization in the Development of ABHD6 Inhibitors - Patel_2015_Bioorg.Med.Chem_23_6335 |
| Author(s) : Patel JZ , van Bruchem J , Laitinen T , Kaczor AA , Navia-Paldanius D , Parkkari T , Savinainen JR , Laitinen JT , Nevalainen TJ |
| Ref : Bioorganic & Medicinal Chemistry , 23 :6335 , 2015 |
| Abstract : |
| PubMedSearch : Patel_2015_Bioorg.Med.Chem_23_6335 |
| PubMedID: 26344596 |
| Title : Loratadine analogues as MAGL inhibitors - Patel_2015_Bioorg.Med.Chem.Lett_25_1436 |
| Author(s) : Patel JZ , Ahenkorah S , Vaara M , Staszewski M , Adams Y , Laitinen T , Navia-Paldanius D , Parkkari T , Savinainen JR , Walczynski K , Laitinen JT , Nevalainen TJ |
| Ref : Bioorganic & Medicinal Chemistry Lett , 25 :1436 , 2015 |
| Abstract : |
| PubMedSearch : Patel_2015_Bioorg.Med.Chem.Lett_25_1436 |
| PubMedID: 25752982 |