| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA145687
Max Phase: Preclinical
Molecular Formula: C19H19NO2
Molecular Weight: 293.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(NC1(C(=O)c2ccccc2)CCCC1)c1ccccc1
Standard InChI: InChI=1S/C19H19NO2/c21-17(15-9-3-1-4-10-15)19(13-7-8-14-19)20-18(22)16-11-5-2-6-12-16/h1-6,9-12H,7-8,13-14H2,(H,20,22)
Standard InChI Key: FBUYXVGNXJYKNO-UHFFFAOYSA-N
Associated Targets(non-human)
Ecdysone receptor 281 Activities
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: 293.37 | Molecular Weight (Monoisotopic): 293.1416 | AlogP: 3.61 | #Rotatable Bonds: 4 |
| Polar Surface Area: 46.17 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 3.86 | CX LogD: 3.86 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.88 | Np Likeness Score: -0.46 |
References
| 1. Tice CM, Hormann RE, Thompson CS, Friz JL, Cavanaugh CK, Michelotti EL, Garcia J, Nicolas E, Albericio F.. (2003) Synthesis and SAR of alpha-acylaminoketone ligands for control of gene expression., 13 (3): [PMID:12565954] [10.1016/s0960-894x(02)00980-0] |
Source
Source(1):