| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3966372
Max Phase: Preclinical
Molecular Formula: C24H18FN5O4
Molecular Weight: 459.44
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc(F)ccc1Oc1nc2ccccc2nc1C(=O)Nc1ccc2[nH]c(CO)nc2c1
Standard InChI: InChI=1S/C24H18FN5O4/c1-33-20-10-13(25)6-9-19(20)34-24-22(29-15-4-2-3-5-16(15)30-24)23(32)26-14-7-8-17-18(11-14)28-21(12-31)27-17/h2-11,31H,12H2,1H3,(H,26,32)(H,27,28)
Standard InChI Key: LLNPUHAHLVIBKP-UHFFFAOYSA-N
Associated Targets(non-human)
Sodium channel protein type X alpha subunit 425 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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 459.44 | Molecular Weight (Monoisotopic): 459.1343 | AlogP: 4.19 | #Rotatable Bonds: 6 |
| Polar Surface Area: 122.25 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.20 | CX Basic pKa: 4.74 | CX LogP: 3.45 | CX LogD: 3.45 |
| Aromatic Rings: 5 | Heavy Atoms: 34 | QED Weighted: 0.35 | Np Likeness Score: -1.42 |
References
| 1. (2015) Substituted quinoxalines as sodium channel modulators, |
Source
Source(1):