| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4516990
Max Phase: Preclinical
Molecular Formula: C25H34N6O
Molecular Weight: 434.59
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CN1CCc2cc(Nc3ncc(C4CC4)c(NCCCNC(=O)C4CCC4)n3)ccc2C1
Standard InChI: InChI=1S/C25H34N6O/c1-31-13-10-19-14-21(9-8-20(19)16-31)29-25-28-15-22(17-6-7-17)23(30-25)26-11-3-12-27-24(32)18-4-2-5-18/h8-9,14-15,17-18H,2-7,10-13,16H2,1H3,(H,27,32)(H2,26,28,29,30)
Standard InChI Key: KKISLZKMBSCLSS-UHFFFAOYSA-N
Associated Targets(Human)
Serine/threonine-protein kinase ULK2 652 Activities
Serine/threonine-protein kinase ULK1 1002 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: 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: 434.59 | Molecular Weight (Monoisotopic): 434.2794 | AlogP: 3.80 | #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: 3.30 | CX LogD: 2.22 |
| Aromatic Rings: 2 | Heavy Atoms: 32 | QED Weighted: 0.52 | Np Likeness Score: -1.24 |
References
| 1. He S, Li Q, Jiang X, Lu X, Feng F, Qu W, Chen Y, Sun H.. (2018) Design of Small Molecule Autophagy Modulators: A Promising Druggable Strategy., 61 (11): [PMID:29211480] [10.1021/acs.jmedchem.7b01019] |
Source
Source(1):