| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5279874
Max Phase: Preclinical
Molecular Formula: C6H9N5S
Molecular Weight: 183.24
Associated Items:
Representations
Canonical SMILES: CSC1=NNC2NN=C(C)C2=N1
Standard InChI: InChI=1S/C6H9N5S/c1-3-4-5(9-8-3)10-11-6(7-4)12-2/h5,9-10H,1-2H3
Standard InChI Key: IIMUZSBYIGPMFP-UHFFFAOYSA-N
Associated Targets(Human)
Purine nucleoside phosphorylase 774 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 183.24 | Molecular Weight (Monoisotopic): 183.0579 | AlogP: -0.03 | #Rotatable Bonds: 0 |
| Polar Surface Area: 61.14 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.06 | CX LogP: 1.20 | CX LogD: 1.20 |
| Aromatic Rings: 0 | Heavy Atoms: 12 | QED Weighted: 0.55 | Np Likeness Score: -0.66 |
References
| 1. Alizadeh SR, Ebrahimzadeh MA.. (2021) Pyrazolotriazines: Biological activities, synthetic strategies and recent developments., 223 [PMID:34147747] [10.1016/j.ejmech.2021.113537] |
Source
Source(1):