Compound Detail
CHEMBL3685796
MRL-SYKi Enter ChEMBL ID:
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Cc1cc(Nc2nccc(C)n2)cc(-c2cnc([C@@]3(O)CC[C@H](C(=O)O)C(C)(C)C3)s2)c1
Basic Information
| ChEMBL ID | CHEMBL3685796 |
| Name | MRL-SYKi |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OYKPWSZSBLRRPL-HOYKHHGWSA-N |
13
Targets
24
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
452.6
MW (Da)
5.06
ALogP
7
HBA
3
HBD
108.2
PSA (Ų)
0.50
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 18 meas. best 9.05
Ki 5 meas. best 5.11
Kd 1 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase SYK CHEMBL2599 | IC50 | 9.05 | 8.388 | 0.9 | 5 |
| Tyrosine-protein kinase SYK CHEMBL2599 | Kd | 8.74 | 8.74 | 1.8 | 1 |
| Tyrosine-protein kinase ZAP-70 CHEMBL2803 | IC50 | 7.62 | 7.62 | 24.0 | 1 |
| Mast cell CHEMBL613709 | IC50 | 7.42 | 7.42 | 38.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 7.0 | 7.0 | 100.0 | 2 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 6.98 | 6.98 | 105.0 | 2 |
| NT-3 growth factor receptor CHEMBL5608 | IC50 | 6.92 | 6.92 | 120.0 | 2 |
| Tyrosine-protein kinase Fgr CHEMBL4454 | IC50 | 6.73 | 6.73 | 185.0 | 1 |
| Tyrosine-protein kinase Fyn CHEMBL1841 | IC50 | 6.69 | 6.69 | 205.0 | 1 |
| Tyrosine-protein kinase Fer CHEMBL3982 | IC50 | 6.63 | 6.63 | 232.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 6.62 | 6.62 | 242.0 | 1 |
| Cysteinyl leukotriene receptor CHEMBL2094254 | IC50 | 6.54 | 6.54 | 287.0 | 1 |
| Sodium-dependent noradrenaline transporter CHEMBL222 | Ki | 5.11 | 5.1067 | 7713.0 | 3 |
| Histamine H3 receptor CHEMBL264 | Ki | 5.0 | 5.0 | 10000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4507285 | Tyrosine-protein kinase ABL1 | 15 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL4507285 | Epidermal growth factor receptor | 12 |
| - | 10.6019/CHEMBL4507285 | Receptor-type tyrosine-protein kinase FLT3 | 11 |
| - | 10.6019/CHEMBL4689842 | U2OS | 10 |
| - | 10.6019/CHEMBL4507285 | Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform | 10 |
| - | 10.6019/CHEMBL4689842 | Fibroblast | 9 |
| - | 10.6019/CHEMBL4507285 | Mast/stem cell growth factor receptor Kit | 9 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 8 |
| - | 10.6019/CHEMBL5724696 | U2OS | 8 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| - | 10.6019/CHEMBL4507285 | Proto-oncogene tyrosine-protein kinase receptor Ret | 4 |
| - | 10.6019/CHEMBL4507285 | ALK tyrosine kinase receptor | 3 |
| - | 10.6019/CHEMBL4507285 | Hepatocyte growth factor receptor | 3 |
| - | 10.6019/CHEMBL4507285 | Histamine H3 receptor | 3 |
| - | 10.6019/CHEMBL4507285 | Sodium-dependent noradrenaline transporter | 3 |
| - | 10.6019/CHEMBL4507285 | Tyrosine-protein kinase SYK | 3 |
| - | 10.6019/CHEMBL4507285 | Tyrosine-protein kinase ZAP-70 | 2 |
Data from ChEMBL 36 via Core Engine