Compound Detail
CHEMBL5555517
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COc1cc2ncnc(Oc3ccc(NC(=O)c4c5n(n(-c6cc(F)ccc6F)c4=O)CCCC5)cc3F)c2cc1OC
Basic Information
| ChEMBL ID | CHEMBL5555517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XUAWXCKJDFXVHP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
591.5
MW (Da)
5.40
ALogP
9
HBA
1
HBD
109.5
PSA (Ų)
0.27
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 8.26 | 8.26 | 5.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO | IC50 | = | 5.5 | nM | 8.26 | Inhibition of AXL (unknown origin) | 38714043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38714043 | 10.1016/j.ejmech.2024.116475 | Tyrosine-protein kinase receptor UFO | 1 |
Data from ChEMBL 36 via Core Engine