| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4785758
Max Phase: Preclinical
Molecular Formula: C24H34N2O2
Molecular Weight: 382.55
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCN(CC)C(=O)CN(Cc1ccc(OC(C)C)cc1)c1cc(C)cc(C)c1
Standard InChI: InChI=1S/C24H34N2O2/c1-7-25(8-2)24(27)17-26(22-14-19(5)13-20(6)15-22)16-21-9-11-23(12-10-21)28-18(3)4/h9-15,18H,7-8,16-17H2,1-6H3
Standard InChI Key: MLLYPZSMXZCRCI-UHFFFAOYSA-N
Associated Targets(Human)
Translocator protein 484 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: 382.55 | Molecular Weight (Monoisotopic): 382.2620 | AlogP: 4.97 | #Rotatable Bonds: 9 |
| Polar Surface Area: 32.78 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.28 | CX LogD: 5.28 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.61 | Np Likeness Score: -1.32 |
References
| 1. Vo, Sophie V., Banister, Samuel D., Freelander, Isaac, Werry, Eryn L., Reekie, Tristan A., Ittner, Lars M., Kassiou, Michael. (2020) Reversing binding sensitivity to A147T translocator protein, 11 (4): [PMID:33479652] [10.1039/c9md00580c] |
Source
Source(1):