Compound Detail
CHEMBL4578043
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CCc1nc(C(N)=O)c(Nc2ccc3c(c2)CCC(N2CC4CNCC4C2)CC3)nc1NC1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL4578043 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AWOZZSFQUNQZCX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
519.7
MW (Da)
2.87
ALogP
8
HBA
4
HBD
117.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 8.6 | 8.6 | 2.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO | IC50 | = | 2.5 | nM | 8.6 | Inhibition of AXL (unknown origin) using poly (Glu, Tyr) as substrate after 60 m... | 30685094 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30685094 | 10.1016/j.bmcl.2019.01.018 | Tyrosine-protein kinase receptor UFO | 1 |
| 30685094 | 10.1016/j.bmcl.2019.01.018 | TEL/AXL | 1 |
Data from ChEMBL 36 via Core Engine