Compound Detail
CHEMBL5557417
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Cn1cc(-c2oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c3c2-c2ccccc2)cn1
Basic Information
| ChEMBL ID | CHEMBL5557417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BBEKTQZNBOIUQG-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
598.6
MW (Da)
6.62
ALogP
9
HBA
1
HBD
117.1
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 7.67 | 7.67 | 21.4 | 1 |
| Tyrosine-protein kinase Mer CHEMBL5331 | IC50 | 6.76 | 6.76 | 171.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO | IC50 | = | 21.4 | nM | 7.67 | Inhibition of AXL (unknown origin) preincubated for 15 mins followed by substrat... | 38913493 |
| Tyrosine-protein kinase Mer | IC50 | = | 171.7 | nM | 6.76 | Inhibition of MER (unknown origin) expressed in mouse BaF3 cells co-expressing T... | 38913493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38913493 | 10.1021/acs.jmedchem.4c00400 | Tyrosine-protein kinase Mer | 2 |
| 38913493 | 10.1021/acs.jmedchem.4c00400 | Tyrosine-protein kinase receptor UFO | 1 |
Data from ChEMBL 36 via Core Engine