| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5290163
Max Phase: Preclinical
Molecular Formula: C17H23N7S
Molecular Weight: 357.49
Associated Items:
Representations
Canonical SMILES: Cc1nnc2n(NC(=S)NC3C4CC5CC(C4)CC3C5)c(C)nnc1-2
Standard InChI: InChI=1S/C17H23N7S/c1-8-14-16(22-19-8)24(9(2)20-21-14)23-17(25)18-15-12-4-10-3-11(6-12)7-13(15)5-10/h10-13,15H,3-7H2,1-2H3,(H2,18,23,25)
Standard InChI Key: VFQHLGVQLYRQSZ-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: 357.49 | Molecular Weight (Monoisotopic): 357.1736 | AlogP: 2.03 | #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: 13.41 | CX Basic pKa: 0.28 | CX LogP: 0.40 | CX LogD: 0.40 |
| Aromatic Rings: 0 | Heavy Atoms: 25 | QED Weighted: 0.80 | Np Likeness Score: -1.32 |
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):