ID: ALA5283982
Chembl Id: CHEMBL5283982
Max Phase: Preclinical
Molecular Formula: C15H12O7
Molecular Weight: 304.25
Associated Items:
Canonical SMILES: COc1cc(O)c2c(=O)c3c(OC)c(O)c(O)cc3oc2c1
Standard InChI: InChI=1S/C15H12O7/c1-20-6-3-7(16)11-9(4-6)22-10-5-8(17)13(18)15(21-2)12(10)14(11)19/h3-5,16-18H,1-2H3
Standard InChI Key: QPQJWBMWWVIFGA-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 304.25 | Molecular Weight (Monoisotopic): 304.0583 | AlogP: 2.08 | #Rotatable Bonds: 2 |
| Polar Surface Area: 109.36 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.59 | CX Basic pKa: | CX LogP: 2.38 | CX LogD: 2.16 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.49 | Np Likeness Score: 1.58 |
| 1. Santos CMM, Freitas M, Fernandes E.. (2018) A comprehensive review on xanthone derivatives as α-glucosidase inhibitors., 157 [PMID:30282319] [10.1016/j.ejmech.2018.07.073] |
Source(1):
