| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5180747
Max Phase: Preclinical
Molecular Formula: C19H16N2O3
Molecular Weight: 320.35
Associated Items:
Representations
Canonical SMILES: O=c1ccc2cc(OCCCn3cnc4ccccc43)ccc2o1
Standard InChI: InChI=1S/C19H16N2O3/c22-19-9-6-14-12-15(7-8-18(14)24-19)23-11-3-10-21-13-20-16-4-1-2-5-17(16)21/h1-2,4-9,12-13H,3,10-11H2
Standard InChI Key: HNYRGMIAPIQJBP-UHFFFAOYSA-N
Associated Targets(non-human)
Sprivivirus cyprinus 5 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 320.35 | Molecular Weight (Monoisotopic): 320.1161 | AlogP: 3.61 | #Rotatable Bonds: 5 |
| Polar Surface Area: 57.26 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.37 | CX LogP: 3.00 | CX LogD: 2.99 |
| Aromatic Rings: 4 | Heavy Atoms: 24 | QED Weighted: 0.42 | Np Likeness Score: -1.03 |
References
| 1. G AC, Gondru R, Li Y, Banothu J.. (2022) Coumarin-benzimidazole hybrids: A review of developments in medicinal chemistry., 227 [PMID:34715585] [10.1016/j.ejmech.2021.113921] |
Source
Source(1):