CHEMBL1914935
Pancreatic lipase/Carboxylesterase 1-IN-1 (Compound 39) is a potent dual inhibitor of pancreatic lipase (PL) and human carboxylesterase 1A (hCES1A) with IC50 values of 2.13 microM and 0.055 microM against PL and hCES1A
General
Type : Terpenoid
Chemical_Nomenclature : (4aS,6aR,6aS,6bR,8aR,12aR,14bS)-11-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,13,14b-decahydro-1H-picene-4a-carboxylic acid
Canonical SMILES : C[C@@]12CC[C@@H]3[C@@]([C@H]1CC=C4[C@]2(CC[C@@]5([C@H]4CC(CC5)(C)C)C(=O)O)C)(C=C(C(=O)C3(C)C)O)C
InChI : InChI=1S\/C30H44O4\/c1-25(2)12-14-30(24(33)34)15-13-28(6)18(19(30)16-25)8-9-22-27(5)17-20(31)23(32)26(3,4)21(27)10-11-29(22,28)7\/h8,17,19,21-22,31H,9-16H2,1-7H3,(H,33,34)\/t19-,21-,22+,27-,28+,29+,30-\/m0\/s1
InChIKey : OQLDDXDMTOPTDO-QRARIYCASA-N
Other name(s) : Pancreatic lipase\/Carboxylesterase 1-IN-1 || HY-144809 || CS-0434775 || compound 39
MW : 468.7
Formula : C30H44O4
CAS_number : 194235-21-7
PubChem : 10695614
UniChem : OQLDDXDMTOPTDO-QRARIYCASA-N
Target
Families : CHEMBL1914935 ligand of proteins in family
Carb_B_Chordata
Protein :
human-CES1
References (1)
| Title : Discovery of triterpenoids as potent dual inhibitors of pancreatic lipase and human carboxylesterase 1 - Zhang_2022_J.Enzyme.Inhib.Med.Chem_37_629 |
| Author(s) : Zhang J , Pan QS , Qian XK , Zhou XL , Wang YJ , He RJ , Wang LT , Li YR , Huo H , Sun CG , Sun L , Zou LW , Yang L |
| Ref : J Enzyme Inhib Med Chem , 37 :629 , 2022 |
| Abstract : |
| PubMedSearch : Zhang_2022_J.Enzyme.Inhib.Med.Chem_37_629 |
| PubMedID: 35100926 |