ID: ALA5287750
Chembl Id: CHEMBL5287750
Max Phase: Preclinical
Molecular Formula: C21H18O3
Molecular Weight: 318.37
Associated Items:
Canonical SMILES: Oc1ccc(/C=C/c2cc(O)cc(OCc3ccccc3)c2)cc1
Standard InChI: InChI=1S/C21H18O3/c22-19-10-8-16(9-11-19)6-7-18-12-20(23)14-21(13-18)24-15-17-4-2-1-3-5-17/h1-14,22-23H,15H2/b7-6+
Standard InChI Key: DQRVEESLGDZHMJ-VOTSOKGWSA-N
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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 |
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| Molecular Weight: 318.37 | Molecular Weight (Monoisotopic): 318.1256 | AlogP: 4.85 | #Rotatable Bonds: 5 |
| Polar Surface Area: 49.69 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 8.63 | CX Basic pKa: ┄ | CX LogP: 5.27 | CX LogD: 5.25 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.66 | Np Likeness Score: 0.26 |
| 1. Ahmadi R, Ebrahimzadeh MA.. (2020) Resveratrol - A comprehensive review of recent advances in anticancer drug design and development., 200 [PMID:32485531] [10.1016/j.ejmech.2020.112356] |
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