| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3211963
Max Phase: Preclinical
Molecular Formula: C17H18N2O4S
Molecular Weight: 346.41
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C/C(=N/NS(=O)(=O)c1cc(C)ccc1C)c1ccc2c(c1)OCO2
Standard InChI: InChI=1S/C17H18N2O4S/c1-11-4-5-12(2)17(8-11)24(20,21)19-18-13(3)14-6-7-15-16(9-14)23-10-22-15/h4-9,19H,10H2,1-3H3/b18-13-
Standard InChI Key: CVYNZPHDOIVKDN-AQTBWJFISA-N
Associated Targets(Human)
Histone acetyltransferase GCN5 14285 Activities
Associated Targets(non-human)
Plasmodium falciparum 966862 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 346.41 | Molecular Weight (Monoisotopic): 346.0987 | AlogP: 2.73 | #Rotatable Bonds: 4 |
| Polar Surface Area: 76.99 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.84 | CX Basic pKa: | CX LogP: 3.21 | CX LogD: 3.21 |
| Aromatic Rings: 2 | Heavy Atoms: 24 | QED Weighted: 0.68 | Np Likeness Score: -1.34 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):