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ID: ALA1965838
Max Phase: Preclinical
Molecular Formula: C5H6N4S
Molecular Weight: 154.20
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1csc2nc(N)nn12
Standard InChI: InChI=1S/C5H6N4S/c1-3-2-10-5-7-4(6)8-9(3)5/h2H,1H3,(H2,6,8)
Standard InChI Key: CQMXVRSRZTVQPU-UHFFFAOYSA-N
Associated Targets(Human)
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: 154.20 | Molecular Weight (Monoisotopic): 154.0313 | AlogP: 0.68 | #Rotatable Bonds: 0 |
| Polar Surface Area: 56.21 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.20 | CX LogP: 1.25 | CX LogD: 1.25 |
| Aromatic Rings: 2 | Heavy Atoms: 10 | QED Weighted: 0.61 | Np Likeness Score: -2.69 |
References
| 1. PubChem BioAssay data set, |
