| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3704895
Max Phase: Preclinical
Molecular Formula: C33H34N2O7
Molecular Weight: 570.64
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)CC1C(=O)N(CC(C(=O)C(=O)NC(Cc2ccccc2)C(=O)O)c2ccccc2)C(=O)C1c1ccc(O)cc1
Standard InChI: InChI=1S/C33H34N2O7/c1-20(2)17-25-28(23-13-15-24(36)16-14-23)32(40)35(31(25)39)19-26(22-11-7-4-8-12-22)29(37)30(38)34-27(33(41)42)18-21-9-5-3-6-10-21/h3-16,20,25-28,36H,17-19H2,1-2H3,(H,34,38)(H,41,42)
Standard InChI Key: XIZAHNQDVFOLRG-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: 570.64 | Molecular Weight (Monoisotopic): 570.2366 | AlogP: 3.67 | #Rotatable Bonds: 12 |
| Polar Surface Area: 141.08 | Molecular Species: ACID | HBA: 6 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 3.57 | CX Basic pKa: | CX LogP: 5.12 | CX LogD: 1.77 |
| Aromatic Rings: 3 | Heavy Atoms: 42 | QED Weighted: 0.22 | Np Likeness Score: 0.28 |
References
| 1. (2015) Compounds from Antrodia cinnamomea and use thereof, |
Source
Source(1):