| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3217110
Max Phase: Preclinical
Molecular Formula: C15H23Cl2N3O
Molecular Weight: 259.35
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc(NC(C)CCCN)c2ncccc2c1.Cl.Cl
Standard InChI: InChI=1S/C15H21N3O.2ClH/c1-11(5-3-7-16)18-14-10-13(19-2)9-12-6-4-8-17-15(12)14;;/h4,6,8-11,18H,3,5,7,16H2,1-2H3;2*1H
Standard InChI Key: STKZOTIORLKRFH-UHFFFAOYSA-N
Associated Targets(non-human)
Histidine-rich protein 528 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: 259.35 | Molecular Weight (Monoisotopic): 259.1685 | AlogP: 2.78 | #Rotatable Bonds: 6 |
| Polar Surface Area: 60.17 | Molecular Species: BASE | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 10.20 | CX LogP: 1.64 | CX LogD: -0.96 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.84 | Np Likeness Score: -0.43 |
References
| 1. Loup C, Lelièvre J, Benoit-Vical F, Meunier B.. (2007) Trioxaquines and heme-artemisinin adducts inhibit the in vitro formation of hemozoin better than chloroquine., 51 (10): [PMID:17698628] [10.1128/aac.00239-07] |
Source
Source(1):