Compound Detail
CHEMBL4850154
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Cc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1C#Cc1cc(-c2cnn(C)c2)cnc1N
Basic Information
| ChEMBL ID | CHEMBL4850154 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEKMGFTWNVQVDU-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
491.5
MW (Da)
4.92
ALogP
6
HBA
2
HBD
95.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RBL-2H3 CHEMBL614632 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RBL-2H3 | IC50 | = | 3.71 | nM | 8.43 | Antiallergic activity against anti-DNP-IgE sensitized rat RBL-2H3 cells assessed... | 34476950 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 22.0 | nM | 7.66 | Inhibition of human recombinant CSF1R using ATP/Ulight-TK peptide incubated for ... | 34476950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34476950 | 10.1021/acs.jmedchem.1c00976 | RBL-2H3 | 5 |
| 34476950 | 10.1021/acs.jmedchem.1c00976 | Macrophage colony-stimulating factor 1 receptor | 4 |
| 34476950 | 10.1021/acs.jmedchem.1c00976 | Tyrosine-protein kinase Fgr | 3 |
| 34476950 | 10.1021/acs.jmedchem.1c00976 | Tyrosine-protein kinase Srms | 3 |
| 34476950 | 10.1021/acs.jmedchem.1c00976 | Proto-oncogene tyrosine-protein kinase Src | 3 |
| 34476950 | 10.1021/acs.jmedchem.1c00976 | Platelet-derived growth factor receptor beta | 3 |
| 34476950 | 10.1021/acs.jmedchem.1c00976 | Platelet-derived growth factor receptor alpha | 3 |
| 34476950 | 10.1021/acs.jmedchem.1c00976 | Tyrosine-protein kinase Lyn | 3 |
| 34476950 | 10.1021/acs.jmedchem.1c00976 | Tyrosine-protein kinase Lck | 3 |
| 34476950 | 10.1021/acs.jmedchem.1c00976 | Tyrosine-protein kinase ITK/TSK | 3 |
| 34476950 | 10.1021/acs.jmedchem.1c00976 | Inhibitor of nuclear factor kappa-B kinase subunit alpha | 3 |
| 34476950 | 10.1021/acs.jmedchem.1c00976 | Tyrosine-protein kinase HCK | 3 |
| 34476950 | 10.1021/acs.jmedchem.1c00976 | Tyrosine-protein kinase Fyn | 3 |
| 34476950 | 10.1021/acs.jmedchem.1c00976 | Tyrosine-protein kinase CSK | 3 |
| 34476950 | 10.1021/acs.jmedchem.1c00976 | Mast/stem cell growth factor receptor Kit | 3 |
| 34476950 | 10.1021/acs.jmedchem.1c00976 | Tyrosine-protein kinase BTK | 3 |
| 34476950 | 10.1021/acs.jmedchem.1c00976 | Protein-tyrosine kinase 6 | 3 |
| 34476950 | 10.1021/acs.jmedchem.1c00976 | Cytoplasmic tyrosine-protein kinase BMX | 3 |
| 34476950 | 10.1021/acs.jmedchem.1c00976 | Tyrosine-protein kinase Blk | 3 |
| 34476950 | 10.1021/acs.jmedchem.1c00976 | Tyrosine-protein kinase ABL1 | 3 |
Data from ChEMBL 36 via Core Engine