| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4453313
Max Phase: Preclinical
Molecular Formula: C18H13Cl2N3
Molecular Weight: 342.23
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: C#CCNc1ccc2nc(C)c(-c3ccc(Cl)c(Cl)c3)nc2c1
Standard InChI: InChI=1S/C18H13Cl2N3/c1-3-8-21-13-5-7-16-17(10-13)23-18(11(2)22-16)12-4-6-14(19)15(20)9-12/h1,4-7,9-10,21H,8H2,2H3
Standard InChI Key: GBTOKXYINGUQOJ-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: 342.23 | Molecular Weight (Monoisotopic): 341.0487 | AlogP: 4.96 | #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: 2.75 | CX LogP: 4.37 | CX LogD: 4.37 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.68 | Np Likeness Score: -1.61 |
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):