Compound Detail
CHEMBL5197168
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Basic Information
| ChEMBL ID | CHEMBL5197168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIQLUWGXRPQJFF-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
450.5
MW (Da)
3.44
ALogP
8
HBA
2
HBD
120.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.55 | 8.55 | 2.8 | 1 |
| NFS-60 CHEMBL614199 | IC50 | 8.49 | 8.49 | 3.2 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.43 | 6.525 | 37.0 | 2 |
| Platelet-derived growth factor receptor alpha CHEMBL2007 | IC50 | 6.71 | 6.71 | 196.0 | 1 |
| Platelet-derived growth factor receptor beta CHEMBL1913 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 2.8 | nM | 8.55 | Inhibition of N-terminal His6-tagged recombinant human CSF1R (542 to 919 residue... | 35961461 |
| NFS-60 | IC50 | = | 3.2 | nM | 8.49 | Antiproliferative activity against CSF1-treated mouse NFS-60 cells measured afte... | 35961461 |
| Unchecked | IC50 | = | 37.0 | nM | 7.43 | Inhibition of RANKL-induced human osteoclast precursor cells differentiation in ... | 35961461 |
| Platelet-derived growth factor receptor alpha | IC50 | = | 196.0 | nM | 6.71 | Inhibition of N-terminal GST-tagged PDGFRalpha (unknown origin) (550 to 1089 res... | 35961461 |
| Platelet-derived growth factor receptor beta | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of N-terminal GST-tagged PDGFRbeta (unknown origin) (557 to 1106 resi... | 35961461 |
| Unchecked | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of His-Glu tagged recombinant human KIT Q694-T753 deletion mutant (56... | 35961461 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35961461 | 10.1016/j.bmcl.2022.128929 | Unchecked | 2 |
| 35961461 | 10.1016/j.bmcl.2022.128929 | Macrophage colony-stimulating factor 1 receptor | 1 |
| 35961461 | 10.1016/j.bmcl.2022.128929 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 35961461 | 10.1016/j.bmcl.2022.128929 | Platelet-derived growth factor receptor alpha | 1 |
| 35961461 | 10.1016/j.bmcl.2022.128929 | Platelet-derived growth factor receptor beta | 1 |
| 35961461 | 10.1016/j.bmcl.2022.128929 | Vascular endothelial growth factor receptor 2 | 1 |
| 35961461 | 10.1016/j.bmcl.2022.128929 | Hepatocyte growth factor receptor | 1 |
| 35961461 | 10.1016/j.bmcl.2022.128929 | NFS-60 | 1 |
Data from ChEMBL 36 via Core Engine