| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4472449
Max Phase: Preclinical
Molecular Formula: C18H14ClN3
Molecular Weight: 307.78
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C#CCNc1ccc2nc(C)c(-c3ccc(Cl)cc3)nc2c1
Standard InChI: InChI=1S/C18H14ClN3/c1-3-10-20-15-8-9-16-17(11-15)22-18(12(2)21-16)13-4-6-14(19)7-5-13/h1,4-9,11,20H,10H2,2H3
Standard InChI Key: ATFUNKWSMXUQER-UHFFFAOYSA-N
Associated Targets(non-human)
Astrocyte 64 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 307.78 | Molecular Weight (Monoisotopic): 307.0876 | AlogP: 4.30 | #Rotatable Bonds: 3 |
| Polar Surface Area: 37.81 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.04 | CX LogP: 3.77 | CX LogD: 3.77 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.73 | Np Likeness Score: -1.53 |
References
| 1. Le Douaron G, Ferrié L, Sepulveda-Diaz JE, Amar M, Harfouche A, Séon-Méniel B, Raisman-Vozari R, Michel PP, Figadère B.. (2016) New 6-Aminoquinoxaline Derivatives with Neuroprotective Effect on Dopaminergic Neurons in Cellular and Animal Parkinson Disease Models., 59 (13): [PMID:27341519] [10.1021/acs.jmedchem.6b00297] |
Source
Source(1):