| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3213171
Max Phase: Preclinical
Molecular Formula: C11H12N4O3S2
Molecular Weight: 312.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: NC(=O)Cn1ccs/c1=N\S(=O)(=O)c1ccc(N)cc1
Standard InChI: InChI=1S/C11H12N4O3S2/c12-8-1-3-9(4-2-8)20(17,18)14-11-15(5-6-19-11)7-10(13)16/h1-6H,7,12H2,(H2,13,16)/b14-11-
Standard InChI Key: KXFIHCIBCARSPG-KAMYIIQDSA-N
Associated Targets(Human)
Histone acetyltransferase GCN5 14285 Activities
Eyes absent homolog 2 5884 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Chromobox protein homolog 1 92434 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Geminin 128009 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: 312.38 | Molecular Weight (Monoisotopic): 312.0351 | AlogP: -0.09 | #Rotatable Bonds: 4 |
| Polar Surface Area: 120.54 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.75 | CX LogP: -0.26 | CX LogD: -0.26 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.77 | Np Likeness Score: -1.90 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):