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ID: ALA3207416
Max Phase: Preclinical
Molecular Formula: C8H10N2O3S2
Molecular Weight: 246.31
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: C=CCNS(=O)(=O)c1sccc1/C=N/O
Standard InChI: InChI=1S/C8H10N2O3S2/c1-2-4-10-15(12,13)8-7(6-9-11)3-5-14-8/h2-3,5-6,10-11H,1,4H2/b9-6+
Standard InChI Key: AMCACGRZXWSTFB-RMKNXTFCSA-N
Associated Targets(Human)
Neuropeptide S receptor 15785 Activities
Glutaminase kidney isoform, mitochondrial 16997 Activities
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Guanine nucleotide-binding protein G(s), subunit alpha 103405 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: 246.31 | Molecular Weight (Monoisotopic): 246.0133 | AlogP: 1.02 | #Rotatable Bonds: 5 |
| Polar Surface Area: 78.76 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.53 | CX Basic pKa: 0.66 | CX LogP: 1.20 | CX LogD: 0.96 |
| Aromatic Rings: 1 | Heavy Atoms: 15 | QED Weighted: 0.35 | Np Likeness Score: -1.48 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):