| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4443742
Max Phase: Preclinical
Molecular Formula: C26H30F3N5O
Molecular Weight: 485.55
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: Cc1ccc2c(c1)C1CN(C)CCC1N2CCC(=O)N(C)c1c(C(F)(F)F)nc2ccc(C)cn12
Standard InChI: InChI=1S/C26H30F3N5O/c1-16-5-7-20-18(13-16)19-15-31(3)11-9-21(19)33(20)12-10-23(35)32(4)25-24(26(27,28)29)30-22-8-6-17(2)14-34(22)25/h5-8,13-14,19,21H,9-12,15H2,1-4H3
Standard InChI Key: PHQVPFUAQROCMD-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: 485.55 | Molecular Weight (Monoisotopic): 485.2402 | AlogP: 4.63 | #Rotatable Bonds: 4 |
| Polar Surface Area: 44.09 | Molecular Species: BASE | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.78 | CX LogP: 3.93 | CX LogD: 2.53 |
| Aromatic Rings: 3 | Heavy Atoms: 35 | QED Weighted: 0.54 | Np Likeness Score: -1.36 |
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):