| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5285673
Max Phase: Preclinical
Molecular Formula: C23H24N10O
Molecular Weight: 456.51
Associated Items:
Representations
Canonical SMILES: CC[C@H]1CN(c2ccc(C#N)cn2)C[C@H]1Nc1c(C(N)=O)cnn2cc(-c3cnn(C)c3)nc12
Standard InChI: InChI=1S/C23H24N10O/c1-3-15-11-32(20-5-4-14(6-24)7-26-20)12-18(15)29-21-17(22(25)34)9-28-33-13-19(30-23(21)33)16-8-27-31(2)10-16/h4-5,7-10,13,15,18,29H,3,11-12H2,1-2H3,(H2,25,34)/t15-,18+/m0/s1
Standard InChI Key: HVOHXBGDKYDBQD-MAUKXSAKSA-N
Associated Targets(Human)
Tyrosine-protein kinase JAK1 8569 Activities
Tyrosine-protein kinase JAK3 8349 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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 456.51 | Molecular Weight (Monoisotopic): 456.2135 | AlogP: 1.82 | #Rotatable Bonds: 6 |
| Polar Surface Area: 143.05 | Molecular Species: NEUTRAL | HBA: 10 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 11 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.88 | CX Basic pKa: 2.70 | CX LogP: 2.10 | CX LogD: 2.10 |
| Aromatic Rings: 4 | Heavy Atoms: 34 | QED Weighted: 0.45 | Np Likeness Score: -2.03 |
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):