| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3686280
Max Phase: Preclinical
Molecular Formula: C16H13FN4O3
Molecular Weight: 328.30
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC(=O)c1ccc(COCc2conc2-c2ccc(F)cn2)nc1
Standard InChI: InChI=1S/C16H13FN4O3/c17-12-2-4-14(20-6-12)15-11(8-24-21-15)7-23-9-13-3-1-10(5-19-13)16(18)22/h1-6,8H,7,9H2,(H2,18,22)
Standard InChI Key: RGWOFMLSFLEIGO-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: 328.30 | Molecular Weight (Monoisotopic): 328.0972 | AlogP: 2.09 | #Rotatable Bonds: 6 |
| Polar Surface Area: 104.13 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.32 | CX Basic pKa: 2.30 | CX LogP: 1.00 | CX LogD: 1.00 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.74 | Np Likeness Score: -1.32 |
References
| 1. (2014) Isoxazolo-pyridine derivatives, |
Source
Source(1):