| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3686279
Max Phase: Preclinical
Molecular Formula: C17H15FN4O4
Molecular Weight: 358.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC(=O)c1ccc(CC(O)OCc2conc2-c2ccc(F)cn2)nc1
Standard InChI: InChI=1S/C17H15FN4O4/c18-12-2-4-14(21-7-12)16-11(9-26-22-16)8-25-15(23)5-13-3-1-10(6-20-13)17(19)24/h1-4,6-7,9,15,23H,5,8H2,(H2,19,24)
Standard InChI Key: RCXFRPBTARZSST-UHFFFAOYSA-N
Associated Targets(Human)
GABA receptor alpha-5 subunit 699 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: 358.33 | Molecular Weight (Monoisotopic): 358.1077 | AlogP: 1.45 | #Rotatable Bonds: 7 |
| Polar Surface Area: 124.36 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.16 | CX Basic pKa: 3.45 | CX LogP: 0.87 | CX LogD: 0.87 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.61 | Np Likeness Score: -0.90 |
References
| 1. (2014) Isoxazolo-pyridine derivatives, |
Source
Source(1):