| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3704889
Max Phase: Preclinical
Molecular Formula: C18H22N2O5
Molecular Weight: 346.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)CC1C(=O)N(CCC(=O)C(N)=O)C(=O)C1c1ccc(O)cc1
Standard InChI: InChI=1S/C18H22N2O5/c1-10(2)9-13-15(11-3-5-12(21)6-4-11)18(25)20(17(13)24)8-7-14(22)16(19)23/h3-6,10,13,15,21H,7-9H2,1-2H3,(H2,19,23)
Standard InChI Key: SUYXJMWPVBDUAU-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: 346.38 | Molecular Weight (Monoisotopic): 346.1529 | AlogP: 0.95 | #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: 1.52 | CX LogD: 1.52 |
| Aromatic Rings: 1 | Heavy Atoms: 25 | QED Weighted: 0.56 | Np Likeness Score: 0.39 |
References
| 1. (2015) Compounds from Antrodia cinnamomea and use thereof, |
Source
Source(1):