| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA560065
Max Phase: Preclinical
Molecular Formula: C16H13FO3
Molecular Weight: 272.27
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)Oc1cc(O)cc(/C=C/c2ccc(F)cc2)c1
Standard InChI: InChI=1S/C16H13FO3/c1-11(18)20-16-9-13(8-15(19)10-16)3-2-12-4-6-14(17)7-5-12/h2-10,19H,1H3/b3-2+
Standard InChI Key: UVJUKGVNLPQRFS-NSCUHMNNSA-N
Associated Targets(Human)
HT-144 176 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: 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 |
|---|
Properties
| Molecular Weight: 272.27 | Molecular Weight (Monoisotopic): 272.0849 | AlogP: 3.63 | #Rotatable Bonds: 3 |
| Polar Surface Area: 46.53 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.42 | CX Basic pKa: | CX LogP: 3.76 | CX LogD: 3.72 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.53 | Np Likeness Score: 0.26 |
References
| 1. Moran BW, Anderson FP, Devery A, Cloonan S, Butler WE, Varughese S, Draper SM, Kenny PT.. (2009) Synthesis, structural characterisation and biological evaluation of fluorinated analogues of resveratrol., 17 (13): [PMID:19481462] [10.1016/j.bmc.2009.05.007] |
Source
Source(1):