| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4439829
Max Phase: Preclinical
Molecular Formula: C6H7N7O3
Molecular Weight: 225.17
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COC(=O)c1nonc1NCn1cnnn1
Standard InChI: InChI=1S/C6H7N7O3/c1-15-6(14)4-5(10-16-9-4)7-2-13-3-8-11-12-13/h3H,2H2,1H3,(H,7,10)
Standard InChI Key: JLMKTNVLZSGSMC-UHFFFAOYSA-N
Associated Targets(Human)
Signal transducer and activator of transcription 5B 90 Activities
Associated Targets(non-human)
Signal transducer and activator of transcription 5B 5 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 225.17 | Molecular Weight (Monoisotopic): 225.0610 | AlogP: -1.09 | #Rotatable Bonds: 4 |
| Polar Surface Area: 120.85 | Molecular Species: NEUTRAL | HBA: 10 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.20 | CX Basic pKa: | CX LogP: -0.24 | CX LogD: -0.42 |
| Aromatic Rings: 2 | Heavy Atoms: 16 | QED Weighted: 0.65 | Np Likeness Score: -2.33 |
References
| 1. Bosc D, Camberlein V, Gealageas R, Castillo-Aguilera O, Deprez B, Deprez-Poulain R.. (2020) Kinetic Target-Guided Synthesis: Reaching the Age of Maturity., 63 (8): [PMID:31820982] [10.1021/acs.jmedchem.9b01183] |
Source
Source(1):