| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA173021
Max Phase: Preclinical
Molecular Formula: C18H25NO4
Molecular Weight: 319.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(=O)NCCOc1ccc(CC2CCCCC2=O)cc1
Standard InChI: InChI=1S/C18H25NO4/c1-2-22-18(21)19-11-12-23-16-9-7-14(8-10-16)13-15-5-3-4-6-17(15)20/h7-10,15H,2-6,11-13H2,1H3,(H,19,21)
Standard InChI Key: FSNBQAAJAXXIOK-UHFFFAOYSA-N
Associated Targets(non-human)
Acyrthosiphon pisum 40 Activities
Dysdercus cingulatus 6 Activities
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Galleria mellonella 128 Activities
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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 |
|---|
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: 319.40 | Molecular Weight (Monoisotopic): 319.1784 | AlogP: 3.11 | #Rotatable Bonds: 7 |
| Polar Surface Area: 64.63 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.45 | CX LogD: 3.45 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.78 | Np Likeness Score: -0.32 |
References
| 1. Rejzek M, Zarevucka M, Wimmer Z. (1992) Carbamate series of juvenoids, 2 (9): [10.1016/S0960-894X(00)80598-3] |
Source
Source(1):