ID: ALA5280237
Chembl Id: CHEMBL5280237
Max Phase: Preclinical
Molecular Formula: C13H10N2O4
Molecular Weight: 258.23
Associated Items:
Canonical SMILES: O=C(O)c1ccccc1/N=N/c1ccc(O)cc1O
Standard InChI: InChI=1S/C13H10N2O4/c16-8-5-6-11(12(17)7-8)15-14-10-4-2-1-3-9(10)13(18)19/h1-7,16-17H,(H,18,19)/b15-14+
Standard InChI Key: ZFORMMHRWNVVQQ-CCEZHUSRSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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 |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 258.23 | Molecular Weight (Monoisotopic): 258.0641 | AlogP: 3.21 | #Rotatable Bonds: 3 |
| Polar Surface Area: 102.48 | Molecular Species: ACID | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.35 | CX Basic pKa: | CX LogP: 3.43 | CX LogD: -0.07 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.74 | Np Likeness Score: -0.14 |
| 1. Mattio LM, Catinella G, Pinto A, Dallavalle S.. (2020) Natural and nature-inspired stilbenoids as antiviral agents., 202 [PMID:32652408] [10.1016/j.ejmech.2020.112541] |
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