| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4440079
Max Phase: Preclinical
Molecular Formula: C23H24F3N3
Molecular Weight: 399.46
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1ccc2c(c1)C1CC(C)CCC1N2c1c(C(F)(F)F)nc2c(C)cccn12
Standard InChI: InChI=1S/C23H24F3N3/c1-13-6-8-18-16(11-13)17-12-14(2)7-9-19(17)29(18)22-20(23(24,25)26)27-21-15(3)5-4-10-28(21)22/h4-6,8,10-11,14,17,19H,7,9,12H2,1-3H3
Standard InChI Key: OJRDDILDAQSFIF-UHFFFAOYSA-N
Associated Targets(Human)
Glutamate [NMDA] receptor 933 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: 399.46 | Molecular Weight (Monoisotopic): 399.1922 | AlogP: 6.39 | #Rotatable Bonds: 1 |
| Polar Surface Area: 20.54 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 4.86 | CX LogP: 6.41 | CX LogD: 6.41 |
| Aromatic Rings: 3 | Heavy Atoms: 29 | QED Weighted: 0.47 | Np Likeness Score: -0.73 |
References
| 1. Vanda D, Zajdel P, Soural M.. (2019) Imidazopyridine-based selective and multifunctional ligands of biological targets associated with psychiatric and neurodegenerative diseases., 181 [PMID:31404862] [10.1016/j.ejmech.2019.111569] |
Source
Source(1):