| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3704900
Max Phase: Preclinical
Molecular Formula: C19H25NO4
Molecular Weight: 331.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)=CCOc1ccc(C2C(=O)N(O)C(=O)C2CC(C)C)cc1
Standard InChI: InChI=1S/C19H25NO4/c1-12(2)9-10-24-15-7-5-14(6-8-15)17-16(11-13(3)4)18(21)20(23)19(17)22/h5-9,13,16-17,23H,10-11H2,1-4H3
Standard InChI Key: ZZKUVVFNFOKVQE-UHFFFAOYSA-N
Associated Targets(non-human)
Genome polyprotein 903 Activities
Molecule Features
| Natural Product: Yes | 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: 331.41 | Molecular Weight (Monoisotopic): 331.1784 | AlogP: 3.54 | #Rotatable Bonds: 6 |
| Polar Surface Area: 66.84 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.16 | CX Basic pKa: | CX LogP: 3.60 | CX LogD: 3.17 |
| Aromatic Rings: 1 | Heavy Atoms: 24 | QED Weighted: 0.49 | Np Likeness Score: 1.15 |
References
| 1. (2015) Compounds from Antrodia cinnamomea and use thereof, |
Source
Source(1):