| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA217058
Max Phase: Preclinical
Molecular Formula: C20H20N2O3
Molecular Weight: 336.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(=O)C1=C(C)NC(=O)NC1c1ccc(-c2ccccc2)cc1
Standard InChI: InChI=1S/C20H20N2O3/c1-3-25-19(23)17-13(2)21-20(24)22-18(17)16-11-9-15(10-12-16)14-7-5-4-6-8-14/h4-12,18H,3H2,1-2H3,(H2,21,22,24)
Standard InChI Key: OVDBCSFTRVIBHF-UHFFFAOYSA-N
Associated Targets(non-human)
Riparian frogs (28 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: 336.39 | Molecular Weight (Monoisotopic): 336.1474 | AlogP: 3.54 | #Rotatable Bonds: 4 |
| Polar Surface Area: 67.43 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.68 | CX Basic pKa: | CX LogP: 2.89 | CX LogD: 2.89 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.84 | Np Likeness Score: -0.81 |
References
| 1. Sujatha K, Shanmugam P, Perumal PT, Muralidharan D, Rajendran M.. (2006) Synthesis and cardiac effects of 3,4-dihydropyrimidin-2(1H)-one-5 carboxylates., 16 (18): [PMID:16824758] [10.1016/j.bmcl.2006.06.059] |
Source
Source(1):