ID: ALA3353662

Max Phase: Preclinical

Molecular Formula: C15H13N3

Molecular Weight: 235.29

Molecule Type: Small molecule

Associated Items:

Representations

Canonical SMILES:  Cc1nc2ccc(N)cc2nc1-c1ccccc1

Standard InChI:  InChI=1S/C15H13N3/c1-10-15(11-5-3-2-4-6-11)18-14-9-12(16)7-8-13(14)17-10/h2-9H,16H2,1H3

Standard InChI Key:  LOMIVQJULVEATF-UHFFFAOYSA-N

Associated Targets(non-human)

Striatum 23 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Brain 4203 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Mus musculus 284745 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Astrocyte 64 Activities

Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID

Molecule Features

Natural Product: NoOral: NoChemical Probe: NoParenteral: No
Molecule Type: Small moleculeTopical: NoFirst In Class: NoBlack Box: No
Chirality: NoAvailability: NoProdrug: No

Drug Indications

MESH IDMESH Heading EFO IDsEFO TermsMax Phase for IndicationReferences

Mechanisms of Action

Mechanism of ActionAction Typetarget IDTarget NameTarget TypeTarget OrganismBinding Site NameReferences

Properties

Molecular Weight: 235.29Molecular Weight (Monoisotopic): 235.1109AlogP: 3.19#Rotatable Bonds: 1
Polar Surface Area: 51.80Molecular Species: NEUTRALHBA: 3HBD: 1
#RO5 Violations: 0HBA (Lipinski): 3HBD (Lipinski): 2#RO5 Violations (Lipinski): 0
CX Acidic pKa: CX Basic pKa: 3.41CX LogP: 2.63CX LogD: 2.63
Aromatic Rings: 3Heavy Atoms: 18QED Weighted: 0.66Np Likeness Score: -0.91

References

1. Le Douaron G, Schmidt F, Amar M, Kadar H, Debortoli L, Latini A, Séon-Méniel B, Ferrié L, Michel PP, Touboul D, Brunelle A, Raisman-Vozari R, Figadère B..  (2015)  Neuroprotective effects of a brain permeant 6-aminoquinoxaline derivative in cell culture conditions that model the loss of dopaminergic neurons in Parkinson disease.,  89  [PMID:25462259] [10.1016/j.ejmech.2014.10.067]
2. 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