| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3104264
Max Phase: Preclinical
Molecular Formula: C18H19NO
Molecular Weight: 265.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCn1c(-c2ccccc2)c(C)c2cc(OC)ccc21
Standard InChI: InChI=1S/C18H19NO/c1-4-19-17-11-10-15(20-3)12-16(17)13(2)18(19)14-8-6-5-7-9-14/h5-12H,4H2,1-3H3
Standard InChI Key: OJDZERFQNJCMAE-UHFFFAOYSA-N
Associated Targets(Human)
Glutamate receptor ionotropic kainate 2 368 Activities
Glutamate receptor ionotropic kainate 1 340 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 265.36 | Molecular Weight (Monoisotopic): 265.1467 | AlogP: 4.65 | #Rotatable Bonds: 3 |
| Polar Surface Area: 14.16 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 4.58 | CX LogD: 4.58 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.67 | Np Likeness Score: -0.77 |
References
| 1. Kaczor AA, Karczmarzyk Z, Fruziński A, Pihlaja K, Sinkkonen J, Wiinämaki K, Kronbach C, Unverferth K, Poso A, Matosiuk D.. (2014) Structural studies, homology modeling and molecular docking of novel non-competitive antagonists of GluK1/GluK2 receptors., 22 (2): [PMID:24368028] [10.1016/j.bmc.2013.12.013] |
Source
Source(1):