| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4452357
Max Phase: Preclinical
Molecular Formula: C23H34N2O2
Molecular Weight: 370.54
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1ccccc1CCN1CCC(CN(C)C(=O)C2=CCCCC2)CC1
Standard InChI: InChI=1S/C23H34N2O2/c1-24(23(26)21-9-4-3-5-10-21)18-19-12-15-25(16-13-19)17-14-20-8-6-7-11-22(20)27-2/h6-9,11,19H,3-5,10,12-18H2,1-2H3
Standard InChI Key: JORNITSNYMURPW-UHFFFAOYSA-N
Associated Targets(Human)
Diacylglycerol kinase alpha 73 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: 370.54 | Molecular Weight (Monoisotopic): 370.2620 | AlogP: 3.91 | #Rotatable Bonds: 7 |
| Polar Surface Area: 32.78 | Molecular Species: BASE | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.84 | CX LogP: 3.72 | CX LogD: 2.27 |
| Aromatic Rings: 1 | Heavy Atoms: 27 | QED Weighted: 0.73 | Np Likeness Score: -0.97 |
References
| 1. Velnati S, Ruffo E, Massarotti A, Talmon M, Varma KSS, Gesu A, Fresu LG, Snow AL, Bertoni A, Capello D, Tron GC, Graziani A, Baldanzi G.. (2019) Identification of a novel DGKα inhibitor for XLP-1 therapy by virtual screening., 164 [PMID:30611057] [10.1016/j.ejmech.2018.12.061] |
Source
Source(1):