| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4445512
Max Phase: Preclinical
Molecular Formula: C18H16N2O2
Molecular Weight: 292.34
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(C)cc1
Standard InChI: InChI=1S/C18H16N2O2/c1-13-7-9-14(10-8-13)11-15(12-19)18(21)20-16-5-3-4-6-17(16)22-2/h3-11H,1-2H3,(H,20,21)/b15-11+
Standard InChI Key: GDPGCFMTLZLXSU-RVDMUPIBSA-N
Associated Targets(non-human)
HBZY-1 (111 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: 292.34 | Molecular Weight (Monoisotopic): 292.1212 | AlogP: 3.55 | #Rotatable Bonds: 4 |
| Polar Surface Area: 62.12 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.71 | CX Basic pKa: | CX LogP: 3.74 | CX LogD: 3.74 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.69 | Np Likeness Score: -1.30 |
References
| 1. Gu X, Chen J, Zhang Y, Guan M, Li X, Zhou Q, Song Q, Qiu J.. (2019) Synthesis and assessment of phenylacrylamide derivatives as potential anti-oxidant and anti-inflammatory agents., 180 [PMID:31301564] [10.1016/j.ejmech.2019.07.020] |
Source
Source(1):