| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5271736
Max Phase: Preclinical
Molecular Formula: C17H13FN6
Molecular Weight: 320.33
Associated Items:
Representations
Canonical SMILES: Nc1nc(Nc2ccc(F)cc2)n2nc(-c3ccccc3)cc2n1
Standard InChI: InChI=1S/C17H13FN6/c18-12-6-8-13(9-7-12)20-17-22-16(19)21-15-10-14(23-24(15)17)11-4-2-1-3-5-11/h1-10H,(H3,19,20,21,22)
Standard InChI Key: ARUIXIORASZCAF-UHFFFAOYSA-N
Associated Targets(Human)
Glucose-dependent insulinotropic receptor 4762 Activities
Calcitonin gene-related peptide 1 214 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: | 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: 320.33 | Molecular Weight (Monoisotopic): 320.1186 | AlogP: 3.26 | #Rotatable Bonds: 3 |
| Polar Surface Area: 81.13 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.95 | CX LogP: 4.12 | CX LogD: 4.12 |
| Aromatic Rings: 4 | Heavy Atoms: 24 | QED Weighted: 0.61 | Np Likeness Score: -1.75 |
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):