Compound Detail
CHEMBL5517863
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Cn1cc(-c2oc3ncnc(Oc4ccc(NC(=O)c5cccn(-c6ccc(F)cc6)c5=O)cc4)c3c2-c2ccc(N3CCNCC3)cc2)cn1
Basic Information
| ChEMBL ID | CHEMBL5517863 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQTQDOHPJHEUPU-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
682.7
MW (Da)
6.03
ALogP
11
HBA
2
HBD
132.3
PSA (Ų)
0.20
QED
3
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase Mer CHEMBL5331 | IC50 | 8.8 | 8.72 | 1.6 | 2 |
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase Mer | IC50 | = | 1.6 | nM | 8.8 | Inhibition of MER (unknown origin) expressed in mouse BaF3 cells co-expressing T... | 38913493 |
| Tyrosine-protein kinase Mer | IC50 | = | 2.3 | nM | 8.64 | Inhibition of MER (unknown origin) preincubated for 15 mins followed by substrat... | 38913493 |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 8.0 | nM | 8.1 | Inhibition of AXL (unknown origin) preincubated for 15 mins followed by substrat... | 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