| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3704890
Max Phase: Preclinical
Molecular Formula: C23H24N2O5
Molecular Weight: 408.45
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)CC1C(=O)N(C(C(=O)C(N)=O)c2ccccc2)C(=O)C1c1ccc(O)cc1
Standard InChI: InChI=1S/C23H24N2O5/c1-13(2)12-17-18(14-8-10-16(26)11-9-14)23(30)25(22(17)29)19(20(27)21(24)28)15-6-4-3-5-7-15/h3-11,13,17-19,26H,12H2,1-2H3,(H2,24,28)
Standard InChI Key: XXHSLOIBEYIHPM-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: 408.45 | Molecular Weight (Monoisotopic): 408.1685 | AlogP: 2.30 | #Rotatable Bonds: 7 |
| Polar Surface Area: 117.77 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.49 | CX Basic pKa: | CX LogP: 3.22 | CX LogD: 3.22 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.54 | Np Likeness Score: 0.30 |
References
| 1. (2015) Compounds from Antrodia cinnamomea and use thereof, |
Source
Source(1):