| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA217145
Max Phase: Preclinical
Molecular Formula: C18H16N2O4
Molecular Weight: 324.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1=C(C(=O)Oc2ccccc2)C(c2cccc(O)c2)NC(=O)N1
Standard InChI: InChI=1S/C18H16N2O4/c1-11-15(17(22)24-14-8-3-2-4-9-14)16(20-18(23)19-11)12-6-5-7-13(21)10-12/h2-10,16,21H,1H3,(H2,19,20,23)
Standard InChI Key: COSNSGMHBODENM-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: 324.34 | Molecular Weight (Monoisotopic): 324.1110 | AlogP: 2.63 | #Rotatable Bonds: 3 |
| Polar Surface Area: 87.66 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.39 | CX Basic pKa: | CX LogP: 2.24 | CX LogD: 2.23 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.60 | Np Likeness Score: -0.54 |
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):