Compound Detail
CHEMBL5089987
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Basic Information
| ChEMBL ID | CHEMBL5089987 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLOKHGQUCOEVIY-UHFFFAOYSA-N |
4
Targets
5
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
2.31
ALogP
8
HBA
3
HBD
122.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.04 | 6.17 | 91.0 | 2 |
| Non-receptor tyrosine-protein kinase TYK2 CHEMBL3553 | IC50 | 6.56 | 6.56 | 276.0 | 1 |
| Serine/threonine-protein kinase ULK2 CHEMBL5435 | IC50 | 5.76 | 5.76 | 1742.0 | 1 |
| Serine/threonine-protein kinase TBK1 CHEMBL5408 | IC50 | 5.56 | 5.56 | 2737.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 91.0 | nM | 7.04 | Inhibition of recombinant human FMS (538 to end residues) using KKKSPGEYVNIEFG a... | 34333981 |
| Non-receptor tyrosine-protein kinase TYK2 | IC50 | = | 276.0 | nM | 6.56 | Inhibition of human TYK2 (875 to end residues) using GGMEDIYFEFMGGKKK as substra... | 34333981 |
| Serine/threonine-protein kinase ULK2 | IC50 | = | 1742.0 | nM | 5.76 | Inhibition of recombinant human ULK2 (1to 306 residues) using casein as substrat... | 34333981 |
| Serine/threonine-protein kinase TBK1 | IC50 | = | 2737.0 | nM | 5.56 | Inhibition of human TTBK1 (1 to 479 residues) using Casein as substrate measured... | 34333981 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 5060.0 | nM | 5.3 | Inhibition of NanoLuc-fused CSF1R (unknown origin) expressed in HEK293 cells inc... | 34333981 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34333981 | 10.1021/acs.jmedchem.1c00440 | Macrophage colony-stimulating factor 1 receptor | 2 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | Serine/threonine-protein kinase TBK1 | 2 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | Non-receptor tyrosine-protein kinase TYK2 | 2 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | Serine/threonine-protein kinase 17A | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | MAP/microtubule affinity-regulating kinase 3 | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | MAP/microtubule affinity-regulating kinase 4 | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | Receptor tyrosine-protein kinase erbB-2 | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | Serine/threonine-protein kinase ULK2 | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | Serine/threonine-protein kinase ULK1 | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | No relevant target | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | ADMET | 1 |
| 34333981 | 10.1021/acs.jmedchem.1c00440 | Tyrosine-protein kinase JAK2 | 1 |
Data from ChEMBL 36 via Core Engine