| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA570314
Max Phase: Preclinical
Molecular Formula: C19H16ClNOS
Molecular Weight: 341.86
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(C(Sc2ccc(Cl)cc2)c2cccnc2)cc1
Standard InChI: InChI=1S/C19H16ClNOS/c1-22-17-8-4-14(5-9-17)19(15-3-2-12-21-13-15)23-18-10-6-16(20)7-11-18/h2-13,19H,1H3
Standard InChI Key: SFODNIWQXLDPLG-UHFFFAOYSA-N
Associated Targets(non-human)
Histidine-rich protein 528 Activities
Plasmodium falciparum 966862 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 341.86 | Molecular Weight (Monoisotopic): 341.0641 | AlogP: 5.63 | #Rotatable Bonds: 5 |
| Polar Surface Area: 22.12 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 4.79 | CX LogP: 5.13 | CX LogD: 5.13 |
| Aromatic Rings: 3 | Heavy Atoms: 23 | QED Weighted: 0.56 | Np Likeness Score: -1.28 |
References
| 1. Kumar S, Das SK, Dey S, Maity P, Guha M, Choubey V, Panda G, Bandyopadhyay U.. (2008) Antiplasmodial activity of [(aryl)arylsulfanylmethyl]Pyridine., 52 (2): [PMID:18025110] [10.1128/aac.00898-07] |
Source
Source(1):