| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4563142
Max Phase: Preclinical
Molecular Formula: C19H15NO5
Molecular Weight: 337.33
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: O=C(/C=C/c1ccc2c(c1)OCO2)CC1(O)C(=O)Nc2ccccc21
Standard InChI: InChI=1S/C19H15NO5/c21-13(7-5-12-6-8-16-17(9-12)25-11-24-16)10-19(23)14-3-1-2-4-15(14)20-18(19)22/h1-9,23H,10-11H2,(H,20,22)/b7-5+
Standard InChI Key: AJJYRWYJJMMKIT-FNORWQNLSA-N
Associated Targets(Human)
mTORC2 162 Activities
mTORC1 330 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: 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: 337.33 | Molecular Weight (Monoisotopic): 337.0950 | AlogP: 2.23 | #Rotatable Bonds: 4 |
| Polar Surface Area: 84.86 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.54 | CX Basic pKa: | CX LogP: 2.46 | CX LogD: 2.46 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.84 | Np Likeness Score: 0.63 |
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):