ID: ALA5282946
Chembl Id: CHEMBL5282946
Max Phase: Preclinical
Molecular Formula: C15H16N4O
Molecular Weight: 268.32
Associated Items:
Canonical SMILES: CCCNc1cnc2ccc(-c3cccc(O)c3)nn12
Standard InChI: InChI=1S/C15H16N4O/c1-2-8-16-15-10-17-14-7-6-13(18-19(14)15)11-4-3-5-12(20)9-11/h3-7,9-10,16,20H,2,8H2,1H3
Standard InChI Key: IGGYXWVZIKKADS-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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 |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 268.32 | Molecular Weight (Monoisotopic): 268.1324 | AlogP: 2.92 | #Rotatable Bonds: 4 |
| Polar Surface Area: 62.45 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 9.58 | CX Basic pKa: 4.60 | CX LogP: 2.82 | CX LogD: 2.82 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.76 | Np Likeness Score: -1.44 |
| 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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