| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4584611
Max Phase: Preclinical
Molecular Formula: C21H18N2O3
Molecular Weight: 346.39
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc(/C=C/C=C2\N=C(/C=C/c3ccccc3)NC2=O)ccc1O
Standard InChI: InChI=1S/C21H18N2O3/c1-26-19-14-16(10-12-18(19)24)8-5-9-17-21(25)23-20(22-17)13-11-15-6-3-2-4-7-15/h2-14,24H,1H3,(H,22,23,25)/b8-5+,13-11+,17-9-
Standard InChI Key: WCYLPRBFGGBJJP-KGWSIPNBSA-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: 346.39 | Molecular Weight (Monoisotopic): 346.1317 | AlogP: 3.54 | #Rotatable Bonds: 5 |
| Polar Surface Area: 70.92 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.71 | CX Basic pKa: | CX LogP: 3.45 | CX LogD: 3.45 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.81 | Np Likeness Score: 0.31 |
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):