ID: ALA2287248
Chembl Id: CHEMBL2287248
PubChem CID: 76327368
Max Phase: Preclinical
Molecular Formula: C19H29NO2
Molecular Weight: 303.45
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CC(C)CC(=O)N(C)CCC1=CC2C=CC(C)(C)OC2C=C1
Standard InChI: InChI=1S/C19H29NO2/c1-14(2)12-18(21)20(5)11-9-15-6-7-17-16(13-15)8-10-19(3,4)22-17/h6-8,10,13-14,16-17H,9,11-12H2,1-5H3
Standard InChI Key: SANUFQMHPBJFFV-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 303.45 | Molecular Weight (Monoisotopic): 303.2198 | AlogP: 3.73 | #Rotatable Bonds: 5 |
| Polar Surface Area: 29.54 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.80 | CX LogD: 2.80 |
| Aromatic Rings: 0 | Heavy Atoms: 22 | QED Weighted: 0.72 | Np Likeness Score: 1.08 |
| 1. Meepagala KM, Osbrink W, Burandt C, Lax A, Duke SO.. (2011) Natural-product-based chromenes as a novel class of potential termiticides., 67 (11): [PMID:21560225] [10.1002/ps.2196] |
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