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ID: ALA4239589
Max Phase: Preclinical
Molecular Formula: C17H19NO5
Molecular Weight: 317.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=C1CCN(C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)C1=O
Standard InChI: InChI=1S/C17H19NO5/c1-11-7-8-18(17(11)20)15(19)6-5-12-9-13(21-2)16(23-4)14(10-12)22-3/h5-6,9-10H,1,7-8H2,2-4H3/b6-5+
Standard InChI Key: QSGVVKAVMYZNFC-AATRIKPKSA-N
Associated Targets(Human)
WI-38 2654 Activities
Oxidation resistance protein 1 5 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: Small molecule | 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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 317.34 | Molecular Weight (Monoisotopic): 317.1263 | AlogP: 2.04 | #Rotatable Bonds: 5 |
| Polar Surface Area: 65.07 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.75 | CX LogD: 1.75 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.78 | Np Likeness Score: 0.23 |
References
| 1. Liu X, Wang Y, Zhang X, Gao Z, Zhang S, Shi P, Zhang X, Song L, Hendrickson H, Zhou D, Zheng G.. (2018) Senolytic activity of piperlongumine analogues: Synthesis and biological evaluation., 26 (14): [PMID:29925484] [10.1016/j.bmc.2018.06.013] |
Source
Source(1):