Compound Detail
CHEMBL4869362
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Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1C#Cc1cc(-c2cnn(C)c2)cnc1N
Basic Information
| ChEMBL ID | CHEMBL4869362 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKBUOWKLCCILDJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
509.9
MW (Da)
5.70
ALogP
5
HBA
2
HBD
85.8
PSA (Ų)
0.35
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RBL-2H3 CHEMBL614632 | IC50 | 7.88 | 7.88 | 13.0 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RBL-2H3 | IC50 | = | 13.02 | nM | 7.88 | Antiallergic activity against anti-DNP-IgE sensitized rat RBL-2H3 cells assessed... | 34476950 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 30.0 | nM | 7.52 | 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 | ADMET | 1 |
| 34476950 | 10.1021/acs.jmedchem.1c00976 | Macrophage colony-stimulating factor 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine