| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5273633
Max Phase: Preclinical
Molecular Formula: C22H21F3N4
Molecular Weight: 398.43
Associated Items:
Representations
Canonical SMILES: CCN1CCc2c(c3cc(C)ccc3n2-c2c(C(F)(F)F)nc3ccccn23)C1
Standard InChI: InChI=1S/C22H21F3N4/c1-3-27-11-9-18-16(13-27)15-12-14(2)7-8-17(15)29(18)21-20(22(23,24)25)26-19-6-4-5-10-28(19)21/h4-8,10,12H,3,9,11,13H2,1-2H3
Standard InChI Key: JPPUZWHATVFVHO-UHFFFAOYSA-N
Associated Targets(Human)
Glutamate [NMDA] receptor subunit epsilon 2 467 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 398.43 | Molecular Weight (Monoisotopic): 398.1718 | AlogP: 4.98 | #Rotatable Bonds: 2 |
| Polar Surface Area: 25.47 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.17 | CX LogP: 4.64 | CX LogD: 4.44 |
| Aromatic Rings: 4 | Heavy Atoms: 29 | QED Weighted: 0.48 | Np Likeness Score: -1.58 |
References
| 1. Dai J, Dan W, Zhang Y, Wang J.. (2018) Recent developments on synthesis and biological activities of γ-carboline., 157 [PMID:30103193] [10.1016/j.ejmech.2018.08.015] |
Source
Source(1):