| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA315999
Max Phase: Preclinical
Molecular Formula: C7H9N5OS
Molecular Weight: 211.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N/C(S)=N/Nc1ccc(N)c(C=O)n1
Standard InChI: InChI=1S/C7H9N5OS/c8-4-1-2-6(10-5(4)3-13)11-12-7(9)14/h1-3H,8H2,(H,10,11)(H3,9,12,14)
Standard InChI Key: UDVMVKMKURVMCN-UHFFFAOYSA-N
Associated Targets(Human)
Ribonucleoside-diphosphate reductase M2 chain 14 Activities
Associated Targets(non-human)
L1210 27553 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Mus musculus 284745 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: 211.25 | Molecular Weight (Monoisotopic): 211.0528 | AlogP: 0.05 | #Rotatable Bonds: 3 |
| Polar Surface Area: 106.39 | Molecular Species: ACID | HBA: 5 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.36 | CX Basic pKa: 7.24 | CX LogP: 1.92 | CX LogD: 1.78 |
| Aromatic Rings: 1 | Heavy Atoms: 14 | QED Weighted: 0.19 | Np Likeness Score: -0.79 |
References
| 1. Liu MC, Lin TS, Cory JG, Cory AH, Sartorelli AC.. (1996) Synthesis and biological activity of 3- and 5-amino derivatives of pyridine-2-carboxaldehyde thiosemicarbazone., 39 (13): [PMID:8691457] [10.1021/jm9600454] |
Source
Source(1):