| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4585981
Max Phase: Preclinical
Molecular Formula: C23H24N2O2
Molecular Weight: 360.46
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCNC(=O)/C(=C/C=C/c1ccccc1)NC(=O)/C=C/c1ccccc1
Standard InChI: InChI=1S/C23H24N2O2/c1-2-18-24-23(27)21(15-9-14-19-10-5-3-6-11-19)25-22(26)17-16-20-12-7-4-8-13-20/h3-17H,2,18H2,1H3,(H,24,27)(H,25,26)/b14-9+,17-16+,21-15-
Standard InChI Key: LEXLVWOIBWHSGL-ASMGXLIMSA-N
Associated Targets(Human)
LS174T 446 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: 360.46 | Molecular Weight (Monoisotopic): 360.1838 | AlogP: 3.94 | #Rotatable Bonds: 8 |
| Polar Surface Area: 58.20 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.87 | CX Basic pKa: | CX LogP: 3.98 | CX LogD: 3.98 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.55 | Np Likeness Score: -0.52 |
References
| 1. Noureddin SA, El-Shishtawy RM, Al-Footy KO.. (2019) Curcumin analogues and their hybrid molecules as multifunctional drugs., 182 [PMID:31479974] [10.1016/j.ejmech.2019.111631] |
Source
Source(1):