Compound Detail
CHEMBL2037226
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)ccc2F)cc1Nc1ccc2c(c1)NC(=O)/C2=C\c1ccc[nH]1
Basic Information
| ChEMBL ID | CHEMBL2037226 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYDUWLSETXNJJT-MTJSOVHGSA-N |
53
Targets
68
Activities
1
Assay Types
16
PK Parameters
20
Publications
0
Known Names
Molecular Properties
535.5
MW (Da)
7.36
ALogP
3
HBA
5
HBD
98.0
PSA (Ų)
0.14
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 68 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NT-3 growth factor receptor CHEMBL5608 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 8.15 | 7.4717 | 7.0 | 6 |
| High affinity nerve growth factor receptor CHEMBL2815 | IC50 | 8.1 | 7.602 | 8.0 | 5 |
| BDNF/NT-3 growth factors receptor CHEMBL4898 | IC50 | 8.05 | 7.9633 | 9.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 6.3 | 5.52 | 500.0 | 3 |
| Platelet-derived growth factor receptor beta CHEMBL2749 | IC50 | 6.06 | 6.06 | 870.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 6.06 | 6.06 | 870.0 | 1 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 6.04 | 6.02 | 910.0 | 2 |
| Mast/stem cell growth factor receptor Kit CHEMBL2034798 | IC50 | 6.04 | 6.04 | 910.0 | 1 |
| Tyrosine-protein kinase JAK2 CHEMBL2971 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| Mitogen-activated protein kinase 9 CHEMBL2034797 | IC50 | 5.54 | 5.54 | 2900.0 | 1 |
| ALK tyrosine kinase receptor CHEMBL4247 | IC50 | 5.47 | 5.32 | 3400.0 | 2 |
| ALK tyrosine kinase receptor CHEMBL5771 | IC50 | 5.47 | 5.47 | 3400.0 | 1 |
| Tyrosine-protein kinase Fgr CHEMBL4454 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Tyrosine-protein kinase Fgr CHEMBL2034795 | IC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL3516 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Vascular endothelial growth factor receptor 1 CHEMBL1868 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| Tyrosine-protein kinase ZAP-70 CHEMBL2034801 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Macrophage-stimulating protein receptor CHEMBL1795170 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Macrophage-stimulating protein receptor CHEMBL2689 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Tyrosine-protein kinase ZAP-70 CHEMBL2803 | IC50 | 5.33 | 5.33 | 4700.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL2034796 | IC50 | 5.29 | 5.29 | 5100.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2034799 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| Proto-oncogene tyrosine-protein kinase receptor Ret CHEMBL2041 | IC50 | 5.28 | 5.28 | 5300.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.25 | 5.25 | 5600.0 | 1 |
| Tyrosine-protein kinase receptor Tie-1 CHEMBL2034800 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL5585 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
| Tyrosine-protein kinase receptor Tie-1 CHEMBL5274 | IC50 | 5.24 | 5.24 | 5700.0 | 1 |
| Ephrin type-B receptor 2 CHEMBL3290 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
| Ephrin type-B receptor 2 CHEMBL5961 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
| Hepatocyte growth factor receptor CHEMBL3717 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
| Ephrin type-A receptor 3 CHEMBL2034794 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Ephrin type-A receptor 3 CHEMBL4954 | IC50 | 5.23 | 5.23 | 5900.0 | 1 |
| Proto-oncogene tyrosine-protein kinase ROS CHEMBL2034802 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Proto-oncogene tyrosine-protein kinase ROS CHEMBL5568 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
| Cytoplasmic tyrosine-protein kinase BMX CHEMBL2034793 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
| Cytoplasmic tyrosine-protein kinase BMX CHEMBL3834 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3973 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Fibroblast growth factor receptor 4 CHEMBL3839 | IC50 | 5.16 | 5.16 | 7000.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL3074 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
| Proto-oncogene tyrosine-protein kinase Src CHEMBL267 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
| Tyrosine-protein kinase Lyn CHEMBL2258 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
| Tyrosine-protein kinase Lyn CHEMBL3905 | IC50 | 5.14 | 5.14 | 7300.0 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL5381 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 5.12 | 5.12 | 7600.0 | 1 |
| Insulin receptor CHEMBL1981 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Insulin receptor CHEMBL3187 | IC50 | 5.1 | 5.1 | 8000.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3661.21 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 5687.01 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 7652.29 | ng.hr.mL-1 | Mus musculus |
| AUC | 10356.57 | ng.hr.mL-1 | Mus musculus |
| CL | 9.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 8.2 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 449.0 | nM | Rattus norvegicus |
| Cmax | 5196.0 | nM | Rattus norvegicus |
| Cmax | 1173.0 | nM | Mus musculus |
| Cmax | 16360.0 | nM | Mus musculus |
| F | 19.0 | % | Rattus norvegicus |
| F | 18.0 | % | Mus musculus |
| T1/2 | 7.1 | hr | Rattus norvegicus |
| T1/2 | 7.5 | hr | Rattus norvegicus |
| T1/2 | 4.5 | hr | Mus musculus |
| T1/2 | 4.4 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4689842 | Fibroblast | 262 |
| - | 10.6019/CHEMBL4689842 | HEK-293T | 262 |
| - | 10.6019/CHEMBL4689842 | U2OS | 259 |
| - | 10.6019/CHEMBL5674860 | Colon cancer organoid | 12 |
| - | 10.6019/CHEMBL5724558 | Colon cancer organoid | 12 |
| 24900443 | 10.1021/ml200261d | Rattus norvegicus | 9 |
| 24900443 | 10.1021/ml200261d | Mus musculus | 9 |
| 24900443 | 10.1021/ml200261d | NON-PROTEIN TARGET | 9 |
| - | 10.6019/CHEMBL5724696 | U2OS | 8 |
| - | 10.6019/CHEMBL5608141 | Colon cancer organoid | 6 |
| - | 10.1158/2159-8290.CD-23-0050 | Colon cancer organoid | 5 |
| 37030091 | 10.1016/j.ejmech.2023.115291 | High affinity nerve growth factor receptor | 4 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 4 |
| 24900443 | 10.1021/ml200261d | Unchecked | 3 |
| - | 10.6019/CHEMBL5209684 | MAP/microtubule affinity-regulating kinase 3 | 3 |
| - | 10.6019/CHEMBL5209684 | MAP/microtubule affinity-regulating kinase 4 | 3 |
| 24900443 | 10.1021/ml200261d | Mast/stem cell growth factor receptor Kit | 2 |
| - | 10.6019/CHEMBL5465560 | ALK tyrosine kinase receptor | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 24900443 | 10.1021/ml200261d | ADMET | 2 |
Data from ChEMBL 36 via Core Engine