| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1476416
Max Phase: Preclinical
Molecular Formula: C14H8N2O3S
Molecular Weight: 284.30
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#Cc1cccc(OC2=NS(=O)(=O)c3ccccc32)c1
Standard InChI: InChI=1S/C14H8N2O3S/c15-9-10-4-3-5-11(8-10)19-14-12-6-1-2-7-13(12)20(17,18)16-14/h1-8H
Standard InChI Key: IDRCPIGXSPTHFW-UHFFFAOYSA-N
Associated Targets(Human)
KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)
Associated Targets(non-human)
PYK Pyruvate kinase (6726 Activities)
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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: 284.30 | Molecular Weight (Monoisotopic): 284.0256 | AlogP: 2.09 | #Rotatable Bonds: 1 |
| Polar Surface Area: 79.52 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 2.48 | CX LogD: 2.48 |
| Aromatic Rings: 2 | Heavy Atoms: 20 | QED Weighted: 0.80 | Np Likeness Score: -1.71 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):