ID: ALA331537
Chembl Id: CHEMBL331537
PubChem CID: 44344668
Max Phase: Preclinical
Molecular Formula: C4H8N4S
Molecular Weight: 144.20
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CSCCc1nn[nH]n1
Standard InChI: InChI=1S/C4H8N4S/c1-9-3-2-4-5-7-8-6-4/h2-3H2,1H3,(H,5,6,7,8)
Standard InChI Key: OQEUJZBWRDEVEJ-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 144.20 | Molecular Weight (Monoisotopic): 144.0470 | AlogP: 0.11 | #Rotatable Bonds: 3 |
| Polar Surface Area: 54.46 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 5.83 | CX Basic pKa: ┄ | CX LogP: 1.08 | CX LogD: -0.19 |
| Aromatic Rings: 1 | Heavy Atoms: 9 | QED Weighted: 0.65 | Np Likeness Score: -1.84 |
| 1. Lee J, Kang MK, Chun MW, Jo YJ, Kwak JH, Kim S.. (1998) Methionine analogues as inhibitors of methionyl-tRNA synthetase., 8 (24): [PMID:9934462] [10.1016/s0960-894x(98)00642-8] |
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