Compound Detail
CHEMBL3085984
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Basic Information
| ChEMBL ID | CHEMBL3085984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRBHOXZJRFQVDF-UHFFFAOYSA-N |
3
Targets
6
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
462.6
MW (Da)
3.24
ALogP
6
HBA
3
HBD
108.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 9.12 | 9.1133 | 0.8 | 3 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL5570 | IC50 | 9.12 | 8.505 | 0.8 | 2 |
| Mast/stem cell growth factor receptor Kit CHEMBL1936 | IC50 | 6.28 | 6.28 | 530.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 0.75 | nM | 9.12 | Fluorescence Polarization Competition Assay: A fluorescence polarization competi... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 0.75 | nM | 9.12 | Fluorescence Polarization Competition Immunoassay: A fluorescence polarization c... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 0.75 | nM | 9.12 | Fluorescence Polarization Competition Immunoassay: A fluorescence polarization c... | - |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 0.8 | nM | 9.1 | Inhibition of FMS (unknown origin) | 24138939 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 13.0 | nM | 7.89 | Inhibition of FMS in mouse BMDM cells | 24138939 |
| Mast/stem cell growth factor receptor Kit | IC50 | = | 530.0 | nM | 6.28 | Inhibition of KIT in human Mo7e cells assessed as inhibition of SCF-dependent ce... | 24138939 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24138939 | 10.1016/j.bmcl.2013.09.061 | Liver microsome | 2 |
| 24138939 | 10.1016/j.bmcl.2013.09.061 | Macrophage colony-stimulating factor 1 receptor | 2 |
| 24138939 | 10.1016/j.bmcl.2013.09.061 | ADMET | 1 |
| 24138939 | 10.1016/j.bmcl.2013.09.061 | Unchecked | 1 |
| 24138939 | 10.1016/j.bmcl.2013.09.061 | Mast/stem cell growth factor receptor Kit | 1 |
Data from ChEMBL 36 via Core Engine