Compound Detail
CHEMBL3809908
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Cc1c[nH]c2nc(Nc3ccc(N4CCN(C)CC4)c(F)c3)nc(-c3cccc(CC#N)c3)c12
Basic Information
| ChEMBL ID | CHEMBL3809908 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCFKACXAIBEPKR-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
455.5
MW (Da)
4.63
ALogP
6
HBA
2
HBD
83.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 7.24 | 7.24 | 58.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO | IC50 | = | 58.0 | nM | 7.24 | Inhibition of AXL (unknown origin) | 26555154 |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 58.0 | nM | 7.24 | Inhibition of AXL (unknown origin) | 38714043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26555154 | 10.1021/acs.jmedchem.5b01273 | Tyrosine-protein kinase receptor UFO | 2 |
| 38714043 | 10.1016/j.ejmech.2024.116475 | Tyrosine-protein kinase receptor UFO | 1 |
Data from ChEMBL 36 via Core Engine