| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5282145
Max Phase: Preclinical
Molecular Formula: C17H22N6O4S
Molecular Weight: 406.47
Associated Items:
Representations
Canonical SMILES: CCOc1ccc(S(=O)(=O)N[C@H](C)CO)cc1-c1nnc2c(n1)c(C)nn2C
Standard InChI: InChI=1S/C17H22N6O4S/c1-5-27-14-7-6-12(28(25,26)22-10(2)9-24)8-13(14)16-18-15-11(3)21-23(4)17(15)20-19-16/h6-8,10,22,24H,5,9H2,1-4H3/t10-/m1/s1
Standard InChI Key: HEQVUFZFFQPOLX-SNVBAGLBSA-N
Associated Targets(Human)
Tyrosinase 717 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: 406.47 | Molecular Weight (Monoisotopic): 406.1423 | AlogP: 0.79 | #Rotatable Bonds: 7 |
| Polar Surface Area: 132.12 | Molecular Species: NEUTRAL | HBA: 9 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 10 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 10.19 | CX Basic pKa: 1.01 | CX LogP: 0.42 | CX LogD: 0.42 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.59 | Np Likeness Score: -1.81 |
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):