| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3260659
Max Phase: Preclinical
Molecular Formula: C17H30N2O8
Molecular Weight: 198.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCN(CC)C(=O)N1CCC(C)CC1.O=C(O)CC(O)(CC(=O)O)C(=O)O
Standard InChI: InChI=1S/C11H22N2O.C6H8O7/c1-4-12(5-2)11(14)13-8-6-10(3)7-9-13;7-3(8)1-6(13,5(11)12)2-4(9)10/h10H,4-9H2,1-3H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
Standard InChI Key: LYZXFWXEWWKVNS-UHFFFAOYSA-N
Associated Targets(non-human)
Brugia malayi 1377 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: 198.31 | Molecular Weight (Monoisotopic): 198.1732 | AlogP: 2.18 | #Rotatable Bonds: 2 |
| Polar Surface Area: 23.55 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.38 | CX LogD: 1.38 |
| Aromatic Rings: 0 | Heavy Atoms: 14 | QED Weighted: 0.67 | Np Likeness Score: -1.53 |
References
| 1. Sashidhara KV, Rao KB, Kushwaha V, Modukuri RK, Verma R, Murthy PK.. (2014) Synthesis and antifilarial activity of chalcone-thiazole derivatives against a human lymphatic filarial parasite, Brugia malayi., 81 [PMID:24863844] [10.1016/j.ejmech.2014.05.029] |
Source
Source(1):