| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3704872
Max Phase: Preclinical
Molecular Formula: C23H25NO5
Molecular Weight: 395.46
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)CC1C(=O)N(C(Cc2ccccc2)C(=O)O)C(=O)C1c1ccc(O)cc1
Standard InChI: InChI=1S/C23H25NO5/c1-14(2)12-18-20(16-8-10-17(25)11-9-16)22(27)24(21(18)26)19(23(28)29)13-15-6-4-3-5-7-15/h3-11,14,18-20,25H,12-13H2,1-2H3,(H,28,29)
Standard InChI Key: YVDGEXSSVKMMEG-UHFFFAOYSA-N
Associated Targets(non-human)
Genome polyprotein 903 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: 395.46 | Molecular Weight (Monoisotopic): 395.1733 | AlogP: 3.20 | #Rotatable Bonds: 7 |
| Polar Surface Area: 94.91 | Molecular Species: ACID | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.80 | CX Basic pKa: | CX LogP: 4.03 | CX LogD: 0.76 |
| Aromatic Rings: 2 | Heavy Atoms: 29 | QED Weighted: 0.70 | Np Likeness Score: 0.36 |
References
| 1. (2015) Compounds from Antrodia cinnamomea and use thereof, |
Source
Source(1):