| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA2006229
Max Phase: Preclinical
Molecular Formula: C9H7N3OS2
Molecular Weight: 237.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=c1[nH]nc(Sc2ccccc2)c(=S)[nH]1
Standard InChI: InChI=1S/C9H7N3OS2/c13-9-10-7(14)8(11-12-9)15-6-4-2-1-3-5-6/h1-5H,(H2,10,12,13,14)
Standard InChI Key: RYPQVHLIYDCZEC-UHFFFAOYSA-N
Associated Targets(Human)
Polyadenylate-binding protein 1 2615 Activities
Serine/threonine-protein kinase PLK1 28605 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: 237.31 | Molecular Weight (Monoisotopic): 237.0031 | AlogP: 1.98 | #Rotatable Bonds: 2 |
| Polar Surface Area: 61.54 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.14 | CX Basic pKa: | CX LogP: 2.21 | CX LogD: 1.77 |
| Aromatic Rings: 2 | Heavy Atoms: 15 | QED Weighted: 0.78 | Np Likeness Score: -1.56 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):