| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA551201
Max Phase: Preclinical
Molecular Formula: C18H15FO4
Molecular Weight: 314.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)Oc1cc(/C=C/c2ccc(F)cc2)cc(OC(C)=O)c1
Standard InChI: InChI=1S/C18H15FO4/c1-12(20)22-17-9-15(10-18(11-17)23-13(2)21)4-3-14-5-7-16(19)8-6-14/h3-11H,1-2H3/b4-3+
Standard InChI Key: HPVHEHSYYCPLKI-ONEGZZNKSA-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: 314.31 | Molecular Weight (Monoisotopic): 314.0954 | AlogP: 3.85 | #Rotatable Bonds: 4 |
| Polar Surface Area: 52.60 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.67 | CX LogD: 3.67 |
| Aromatic Rings: 2 | Heavy Atoms: 23 | QED Weighted: 0.49 | Np Likeness Score: -0.14 |
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):