Compound Detail
CHEMBL5090394
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CNc1ncc2cc(-c3ccc(-c4ncccc4F)cc3Cl)c(=O)n(C[C@H]3OC[C@H](N)CO3)c2n1
Basic Information
| ChEMBL ID | CHEMBL5090394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKNBRNSGPNCARD-SGNKCFNYSA-N |
13
Targets
51
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
496.9
MW (Da)
3.05
ALogP
9
HBA
2
HBD
117.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 51 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase SIK2 CHEMBL5699 | IC50 | 9.52 | 7.5414 | 0.3 | 7 |
| Serine/threonine-protein kinase SIK3 CHEMBL6149 | IC50 | 8.22 | 7.7733 | 6.0 | 6 |
| Serine/threonine-protein kinase SIK1 CHEMBL6082 | IC50 | 7.92 | 7.1567 | 12.0 | 6 |
| Serine/threonine-protein kinase NLK CHEMBL5364 | IC50 | 7.89 | 6.65 | 13.0 | 4 |
| Serine/threonine-protein kinase PAK 2 CHEMBL4487 | IC50 | 7.39 | 7.39 | 41.0 | 2 |
| Serine/threonine-protein kinase PAK 3 CHEMBL2999 | IC50 | 6.85 | 6.85 | 140.0 | 2 |
| Mitogen-activated protein kinase kinase kinase kinase 5 CHEMBL4852 | IC50 | 6.68 | 5.785 | 210.0 | 4 |
| Serine/threonine-protein kinase PAK 1 CHEMBL4600 | IC50 | 6.24 | 6.24 | 580.0 | 2 |
| Dual specificity mitogen-activated protein kinase kinase 4 CHEMBL2897 | IC50 | 6.08 | 6.08 | 830.0 | 2 |
| Serine/threonine-protein kinase N3 CHEMBL3627581 | IC50 | 5.85 | 5.51 | 1400.0 | 4 |
| Serine/threonine-protein kinase 26 CHEMBL5941 | IC50 | 5.8 | 5.1225 | 1600.0 | 4 |
| Maternal embryonic leucine zipper kinase CHEMBL4578 | IC50 | 5.66 | 5.66 | 2200.0 | 2 |
| Angiopoietin-1 receptor CHEMBL4128 | IC50 | 5.51 | 5.365 | 3100.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL5303304 | Fibroblast | 8 |
| 34086472 | 10.1021/acs.jmedchem.0c02144 | SK-OV-3 | 5 |
| 37094449 | 10.1016/j.ejmech.2023.115347 | Serine/threonine-protein kinase SIK2 | 5 |
| - | 10.6019/CHEMBL5058541 | Serine/threonine-protein kinase SIK3 | 4 |
| - | 10.6019/CHEMBL5058541 | Serine/threonine-protein kinase SIK2 | 4 |
| 34086472 | 10.1021/acs.jmedchem.0c02144 | Serine/threonine-protein kinase SIK2 | 4 |
| 34086472 | 10.1021/acs.jmedchem.0c02144 | Serine/threonine-protein kinase 26 | 4 |
| 34086472 | 10.1021/acs.jmedchem.0c02144 | Serine/threonine-protein kinase PAK 1 | 4 |
| - | 10.6019/CHEMBL5465560 | Serine/threonine-protein kinase NLK | 3 |
| 34086472 | 10.1021/acs.jmedchem.0c02144 | Maternal embryonic leucine zipper kinase | 3 |
| 34086472 | 10.1021/acs.jmedchem.0c02144 | Angiopoietin-1 receptor | 3 |
| 34086472 | 10.1021/acs.jmedchem.0c02144 | Dual specificity mitogen-activated protein kinase kinase 4 | 3 |
| 34086472 | 10.1021/acs.jmedchem.0c02144 | Serine/threonine-protein kinase N3 | 3 |
| 34086472 | 10.1021/acs.jmedchem.0c02144 | Serine/threonine-protein kinase NLK | 3 |
| 34086472 | 10.1021/acs.jmedchem.0c02144 | Serine/threonine-protein kinase PAK 2 | 3 |
| 34086472 | 10.1021/acs.jmedchem.0c02144 | Serine/threonine-protein kinase PAK 3 | 3 |
| 34086472 | 10.1021/acs.jmedchem.0c02144 | Mitogen-activated protein kinase kinase kinase kinase 5 | 3 |
| 34086472 | 10.1021/acs.jmedchem.0c02144 | Serine/threonine-protein kinase SIK1 | 3 |
| 37094449 | 10.1016/j.ejmech.2023.115347 | SK-OV-3 | 3 |
| 34086472 | 10.1021/acs.jmedchem.0c02144 | Serine/threonine-protein kinase SIK3 | 3 |
Data from ChEMBL 36 via Core Engine