Compound Detail
CHEMBL4854948
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COc1cc(NC(=O)c2ccc(C)c(C#Cc3cc(-c4cnn(C)c4)cnc3N)c2)cc(OC)c1OC
Basic Information
| ChEMBL ID | CHEMBL4854948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAIDALGUFLXDGM-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
497.6
MW (Da)
4.05
ALogP
8
HBA
2
HBD
113.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RBL-2H3 CHEMBL614632 | IC50 | 8.13 | 8.13 | 7.4 | 1 |
| Macrophage colony-stimulating factor 1 receptor CHEMBL1844 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RBL-2H3 | IC50 | = | 7.43 | nM | 8.13 | Antiallergic activity against anti-DNP-IgE sensitized rat RBL-2H3 cells assessed... | 34476950 |
| Macrophage colony-stimulating factor 1 receptor | IC50 | = | 8.0 | nM | 8.1 | 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