| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5271717
Max Phase: Preclinical
Molecular Formula: C29H29N3OS
Molecular Weight: 467.64
Associated Items:
Representations
Canonical SMILES: CCc1ccc2c(c1)c1c(n2CCC(=O)N2c3ccccc3Sc3ccccc32)CCN(C)C1
Standard InChI: InChI=1S/C29H29N3OS/c1-3-20-12-13-23-21(18-20)22-19-30(2)16-14-24(22)31(23)17-15-29(33)32-25-8-4-6-10-27(25)34-28-11-7-5-9-26(28)32/h4-13,18H,3,14-17,19H2,1-2H3
Standard InChI Key: OYEGLWXFKBBXHP-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: 467.64 | Molecular Weight (Monoisotopic): 467.2031 | AlogP: 6.41 | #Rotatable Bonds: 4 |
| Polar Surface Area: 28.48 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 7.12 | CX LogP: 5.81 | CX LogD: 5.63 |
| Aromatic Rings: 4 | Heavy Atoms: 34 | QED Weighted: 0.35 | Np Likeness Score: -0.98 |
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):