| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5270404
Max Phase: Preclinical
Molecular Formula: C19H14FN5O
Molecular Weight: 347.35
Associated Items:
Representations
Canonical SMILES: Nc1nc2ccc(/C(=N\O)c3ccccc3)nn2c1-c1ccc(F)cc1
Standard InChI: InChI=1S/C19H14FN5O/c20-14-8-6-13(7-9-14)18-19(21)22-16-11-10-15(23-25(16)18)17(24-26)12-4-2-1-3-5-12/h1-11,26H,21H2/b24-17-
Standard InChI Key: PBCRIASDIBXKSF-ULJHMMPZSA-N
Associated Targets(non-human)
rhinovirus B14 1052 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: 347.35 | Molecular Weight (Monoisotopic): 347.1182 | AlogP: 3.34 | #Rotatable Bonds: 3 |
| Polar Surface Area: 88.80 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.45 | CX Basic pKa: 2.99 | CX LogP: 3.98 | CX LogD: 3.95 |
| Aromatic Rings: 4 | Heavy Atoms: 26 | QED Weighted: 0.34 | Np Likeness Score: -1.28 |
References
| 1. Garrido A, Vera G, Delaye PO, Enguehard-Gueiffier C.. (2021) Imidazo[1,2-b]pyridazine as privileged scaffold in medicinal chemistry: An extensive review., 226 [PMID:34607244] [10.1016/j.ejmech.2021.113867] |
Source
Source(1):