| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3211773
Max Phase: Preclinical
Molecular Formula: C7H8ClN3OS
Molecular Weight: 217.68
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C/C(=N\NC(N)=O)c1ccc(Cl)s1
Standard InChI: InChI=1S/C7H8ClN3OS/c1-4(10-11-7(9)12)5-2-3-6(8)13-5/h2-3H,1H3,(H3,9,11,12)/b10-4+
Standard InChI Key: QRVWNCQEOQVZGE-ONNFQVAWSA-N
Associated Targets(Human)
Histone acetyltransferase GCN5 14285 Activities
DNA polymerase iota 116820 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Nuclear factor erythroid 2-related factor 2 95332 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Associated Targets(non-human)
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: 217.68 | Molecular Weight (Monoisotopic): 217.0077 | AlogP: 1.79 | #Rotatable Bonds: 2 |
| Polar Surface Area: 67.48 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.79 | CX Basic pKa: | CX LogP: 1.30 | CX LogD: 1.30 |
| Aromatic Rings: 1 | Heavy Atoms: 13 | QED Weighted: 0.58 | Np Likeness Score: -2.31 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):