| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5266681
Max Phase: Preclinical
Molecular Formula: C25H34N6O2
Molecular Weight: 450.59
Associated Items:
Representations
Canonical SMILES: O=C(NCCCNc1nc(Nc2cccc(CN3CCOCC3)c2)ncc1C1CC1)C1CC1
Standard InChI: InChI=1S/C25H34N6O2/c32-24(20-7-8-20)27-10-2-9-26-23-22(19-5-6-19)16-28-25(30-23)29-21-4-1-3-18(15-21)17-31-11-13-33-14-12-31/h1,3-4,15-16,19-20H,2,5-14,17H2,(H,27,32)(H2,26,28,29,30)
Standard InChI Key: UEZRAYLQPKCVRW-UHFFFAOYSA-N
Associated Targets(Human)
Serine/threonine-protein kinase ULK1 1002 Activities
Serine/threonine-protein kinase ULK2 652 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 450.59 | Molecular Weight (Monoisotopic): 450.2743 | AlogP: 3.26 | #Rotatable Bonds: 11 |
| Polar Surface Area: 91.41 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.87 | CX Basic pKa: 6.80 | CX LogP: 2.60 | CX LogD: 2.50 |
| Aromatic Rings: 2 | Heavy Atoms: 33 | QED Weighted: 0.45 | Np Likeness Score: -1.69 |
References
| 1. Ye W, Fan C, Fu K, Wang X, Lin J, Nian S, Liu C, Zhou W.. (2022) The SAR and action mechanisms of autophagy inhibitors that eliminate drug resistance., 244 [PMID:36283182] [10.1016/j.ejmech.2022.114846] |
Source
Source(1):