ID: ALA5284940
Chembl Id: CHEMBL5284940
Max Phase: Preclinical
Molecular Formula: C14H10F3N3
Molecular Weight: 277.25
Associated Items:
Canonical SMILES: Cc1cnc2ccc(-c3cccc(C(F)(F)F)c3)nn12
Standard InChI: InChI=1S/C14H10F3N3/c1-9-8-18-13-6-5-12(19-20(9)13)10-3-2-4-11(7-10)14(15,16)17/h2-8H,1H3
Standard InChI Key: DHFAUXIJWAYOSH-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 277.25 | Molecular Weight (Monoisotopic): 277.0827 | AlogP: 3.72 | #Rotatable Bonds: 1 |
| Polar Surface Area: 30.19 | Molecular Species: NEUTRAL | HBA: 3 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 3 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 3.98 | CX LogP: 3.76 | CX LogD: 3.76 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.68 | Np Likeness Score: -2.20 |
| 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] |
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