| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5288376
Max Phase: Preclinical
Molecular Formula: C24H32N6O
Molecular Weight: 420.56
Associated Items:
Representations
Canonical SMILES: CN1CCc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CC4)n3)ccc2C1
Standard InChI: InChI=1S/C24H32N6O/c1-30-12-9-18-13-20(8-7-19(18)15-30)28-24-27-14-21(16-3-4-16)22(29-24)25-10-2-11-26-23(31)17-5-6-17/h7-8,13-14,16-17H,2-6,9-12,15H2,1H3,(H,26,31)(H2,25,27,28,29)
Standard InChI Key: MGCUCAILCSYREM-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 |
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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: 420.56 | Molecular Weight (Monoisotopic): 420.2638 | AlogP: 3.41 | #Rotatable Bonds: 9 |
| Polar Surface Area: 82.18 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.98 | CX Basic pKa: 8.45 | CX LogP: 2.86 | CX LogD: 1.77 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.54 | Np Likeness Score: -1.28 |
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):