| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5265916
Max Phase: Preclinical
Molecular Formula: C15H23N7S
Molecular Weight: 333.47
Associated Items:
Representations
Canonical SMILES: Cc1nnc2n(NC(=S)NC3CCCCCCC3)c(C)nnc1-2
Standard InChI: InChI=1S/C15H23N7S/c1-10-13-14(20-17-10)22(11(2)18-19-13)21-15(23)16-12-8-6-4-3-5-7-9-12/h12H,3-9H2,1-2H3,(H2,16,21,23)
Standard InChI Key: XLGYFZTVPJYIIX-UHFFFAOYSA-N
Associated Targets(non-human)
Entamoeba histolytica 2676 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: 333.47 | Molecular Weight (Monoisotopic): 333.1736 | AlogP: 2.32 | #Rotatable Bonds: 2 |
| Polar Surface Area: 80.55 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.42 | CX Basic pKa: 0.28 | CX LogP: 0.91 | CX LogD: 0.91 |
| Aromatic Rings: 0 | Heavy Atoms: 23 | QED Weighted: 0.82 | Np Likeness Score: -1.54 |
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):