| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA369221
Max Phase: Preclinical
Molecular Formula: C20H29NO5
Molecular Weight: 363.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(=O)NCCOc1ccc(CC2CCCCC23OCCO3)cc1
Standard InChI: InChI=1S/C20H29NO5/c1-2-23-19(22)21-11-12-24-18-8-6-16(7-9-18)15-17-5-3-4-10-20(17)25-13-14-26-20/h6-9,17H,2-5,10-15H2,1H3,(H,21,22)
Standard InChI Key: QFCNUIMNCFEDGF-UHFFFAOYSA-N
Associated Targets(non-human)
Acyrthosiphon pisum 40 Activities
Dysdercus cingulatus 6 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Galleria mellonella 128 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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 363.45 | Molecular Weight (Monoisotopic): 363.2046 | AlogP: 3.29 | #Rotatable Bonds: 7 |
| Polar Surface Area: 66.02 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.65 | CX LogD: 3.65 |
| Aromatic Rings: 1 | Heavy Atoms: 26 | QED Weighted: 0.75 | Np Likeness Score: -0.03 |
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):