| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3704894
Max Phase: Preclinical
Molecular Formula: C27H30N2O7
Molecular Weight: 494.54
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)CC1C(=O)N(CC(C(=O)C(=O)NC(C)C(=O)O)c2ccccc2)C(=O)C1c1ccc(O)cc1
Standard InChI: InChI=1S/C27H30N2O7/c1-15(2)13-20-22(18-9-11-19(30)12-10-18)26(34)29(25(20)33)14-21(17-7-5-4-6-8-17)23(31)24(32)28-16(3)27(35)36/h4-12,15-16,20-22,30H,13-14H2,1-3H3,(H,28,32)(H,35,36)
Standard InChI Key: OJVANPOAMJMOFC-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: 494.54 | Molecular Weight (Monoisotopic): 494.2053 | AlogP: 2.45 | #Rotatable Bonds: 10 |
| Polar Surface Area: 141.08 | Molecular Species: ACID | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.43 | CX Basic pKa: | CX LogP: 3.47 | CX LogD: 0.07 |
| Aromatic Rings: 2 | Heavy Atoms: 36 | QED Weighted: 0.34 | Np Likeness Score: 0.22 |
References
| 1. (2015) Compounds from Antrodia cinnamomea and use thereof, |
Source
Source(1):