| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5277145
Max Phase: Preclinical
Molecular Formula: C26H28F3N5O
Molecular Weight: 483.54
Associated Items:
Representations
Canonical SMILES: Cc1ccc2c(c1)c1c(n2CCC(=O)N(C)c2c(C(F)(F)F)nc3cc(C)ccn23)CCN(C)C1
Standard InChI: InChI=1S/C26H28F3N5O/c1-16-5-6-20-18(13-16)19-15-31(3)10-8-21(19)33(20)12-9-23(35)32(4)25-24(26(27,28)29)30-22-14-17(2)7-11-34(22)25/h5-7,11,13-14H,8-10,12,15H2,1-4H3
Standard InChI Key: GXDYTQBWGHNUMT-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: 483.54 | Molecular Weight (Monoisotopic): 483.2246 | AlogP: 4.97 | #Rotatable Bonds: 4 |
| Polar Surface Area: 45.78 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.13 | CX LogP: 4.15 | CX LogD: 3.96 |
| Aromatic Rings: 4 | Heavy Atoms: 35 | QED Weighted: 0.41 | Np Likeness Score: -1.37 |
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):