| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2413478
Max Phase: Preclinical
Molecular Formula: C17H14O3
Molecular Weight: 266.30
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(/C=C(O)/C=C/c1ccc(O)cc1)c1ccccc1
Standard InChI: InChI=1S/C17H14O3/c18-15-9-6-13(7-10-15)8-11-16(19)12-17(20)14-4-2-1-3-5-14/h1-12,18-19H/b11-8+,16-12-
Standard InChI Key: KVOHGMSNUPHBQV-NJAVVXAXSA-N
Associated Targets(Human)
MeWo 235 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: 266.30 | Molecular Weight (Monoisotopic): 266.0943 | AlogP: 3.73 | #Rotatable Bonds: 4 |
| Polar Surface Area: 57.53 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.88 | CX Basic pKa: | CX LogP: 3.44 | CX LogD: 3.43 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.38 | Np Likeness Score: 0.64 |
References
| 1. Caldarelli A, Penucchini E, Caprioglio D, Genazzani AA, Minassi A.. (2013) Synthesis and tubulin-binding properties of non-symmetrical click C5-curcuminoids., 21 (17): [PMID:23830698] [10.1016/j.bmc.2013.05.053] |
Source
Source(1):