| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4776209
Max Phase: Preclinical
Molecular Formula: C18H18O2
Molecular Weight: 266.34
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1cc(C)c(/C=C/C(=O)c2ccccc2O)c(C)c1
Standard InChI: InChI=1S/C18H18O2/c1-12-10-13(2)15(14(3)11-12)8-9-18(20)16-6-4-5-7-17(16)19/h4-11,19H,1-3H3/b9-8+
Standard InChI Key: NKTBEYZIOXWBJI-CMDGGOBGSA-N
Associated Targets(Human)
Neutrophil 395 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 266.34 | Molecular Weight (Monoisotopic): 266.1307 | AlogP: 4.21 | #Rotatable Bonds: 3 |
| Polar Surface Area: 37.30 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.19 | CX Basic pKa: | CX LogP: 5.78 | CX LogD: 5.37 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.67 | Np Likeness Score: 0.03 |
References
| 1. Sousa A,Lucas M,Ribeiro D,Correia CM,Silva VLM,Silva AMS,Fernandes E,Freitas M. (2020) Chalcones as Modulators of Neutrophil Oxidative Burst under Physiological and High Glucose Conditions., 83 (10): [PMID:33006891] [10.1021/acs.jnatprod.0c00728] |
Source
Source(1):