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Mornigrol D ID: ALA4634033
Chembl Id: CHEMBL4634033
PubChem CID: 46844471
Max Phase: Preclinical
Molecular Formula: C24H26O5
Molecular Weight: 394.47
Molecule Type: Unknown
Associated Items:
Names and Identifiers Canonical SMILES: C=C(C)C(O)CC/C(C)=C/Cc1c(O)cc(O)cc1-c1cc2ccc(O)cc2o1
Standard InChI: InChI=1S/C24H26O5/c1-14(2)21(27)9-5-15(3)4-8-19-20(11-18(26)12-22(19)28)24-10-16-6-7-17(25)13-23(16)29-24/h4,6-7,10-13,21,25-28H,1,5,8-9H2,2-3H3/b15-4+
Standard InChI Key: CYMJAMYRLIVQLM-SYZQJQIISA-N
Associated Targets(non-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: 394.47Molecular Weight (Monoisotopic): 394.1780AlogP: 5.42#Rotatable Bonds: 7Polar Surface Area: 94.06Molecular Species: NEUTRALHBA: 5HBD: 4#RO5 Violations: 1HBA (Lipinski): 5HBD (Lipinski): 4#RO5 Violations (Lipinski): 1CX Acidic pKa: 8.56CX Basic pKa: ┄CX LogP: 5.00CX LogD: 4.98Aromatic Rings: 3Heavy Atoms: 29QED Weighted: 0.40Np Likeness Score: 2.27
References 1. Awolade P, Cele N, Kerru N, Gummidi L, Oluwakemi E, Singh P.. (2020) Therapeutic significance of β-glucuronidase activity and its inhibitors: A review., 187 [PMID:31835168 ] [10.1016/j.ejmech.2019.111921 ]