The store will not work correctly when cookies are disabled.
JavaScript seems to be disabled in your browser. For the best experience on our site, be sure to turn on Javascript in your browser.
Lup-2-eno[2,3-d]-isoxazol-N-hydroxy-28-amide ID: ALA4464252
Chembl Id: CHEMBL4464252
PubChem CID: 155530595
Max Phase: Preclinical
Molecular Formula: C31H46N2O3
Molecular Weight: 494.72
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: C=C(C)[C@@H]1CC[C@]2(C(=O)NO)CC[C@]3(C)C(CC[C@@H]4[C@@]5(C)Cc6cnoc6C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
Standard InChI: InChI=1S/C31H46N2O3/c1-18(2)20-10-13-31(26(34)33-35)15-14-29(6)21(24(20)31)8-9-23-28(5)16-19-17-32-36-25(19)27(3,4)22(28)11-12-30(23,29)7/h17,20-24,35H,1,8-16H2,2-7H3,(H,33,34)/t20-,21?,22-,23+,24-,28-,29+,30+,31-/m0/s1
Standard InChI Key: AOVGWOQXOOYRBC-UOCCLRKXSA-N
Associated Targets(Human) Molecule Features Natural Product: NoOral: NoChemical Probe: NoParenteral: NoMolecule Type: UnknownTopical: NoFirst In Class: NoBlack Box: NoChirality: NoAvailability: NoProdrug: No
Drug Indications MESH ID MESH Heading EFO IDs EFO Terms Max Phase for Indication References
Mechanisms of Action Mechanism of Action Action Type target ID Target Name Target Type Target Organism Binding Site Name References
Calculated Properties Molecular Weight: 494.72Molecular Weight (Monoisotopic): 494.3508AlogP: 6.85#Rotatable Bonds: 2Polar Surface Area: 75.36Molecular Species: NEUTRALHBA: 4HBD: 2#RO5 Violations: 1HBA (Lipinski): 5HBD (Lipinski): 2#RO5 Violations (Lipinski): 1CX Acidic pKa: 8.84CX Basic pKa: 0.37CX LogP: 6.10CX LogD: 6.09Aromatic Rings: 1Heavy Atoms: 36QED Weighted: 0.27Np Likeness Score: 2.11
References 1. Minassi A, Rogati F, Cruz C, Prados ME, Galera N, Jinénez C, Appendino G, Bellido ML, Calzado MA, Caprioglio D, Muñoz E.. (2018) Triterpenoid Hydroxamates as HIF Prolyl Hydrolase Inhibitors., 81 (10): [PMID:30350996 ] [10.1021/acs.jnatprod.8b00514 ]