| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA86910
Max Phase: Preclinical
Molecular Formula: C7H10N6S
Molecular Weight: 210.27
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N/C(S)=N/N=C/c1ncc(N)cc1N
Standard InChI: InChI=1S/C7H10N6S/c8-4-1-5(9)6(11-2-4)3-12-13-7(10)14/h1-3H,8-9H2,(H3,10,13,14)/b12-3+
Standard InChI Key: CFOZYZUWMBJGOV-KGVSQERTSA-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: 210.27 | Molecular Weight (Monoisotopic): 210.0688 | AlogP: -0.18 | #Rotatable Bonds: 2 |
| Polar Surface Area: 115.67 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 6.77 | CX Basic pKa: 3.68 | CX LogP: -0.43 | CX LogD: -1.03 |
| Aromatic Rings: 1 | Heavy Atoms: 14 | QED Weighted: 0.23 | Np Likeness Score: -0.93 |
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):