Compound Detail
CHEMBL4524568
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Basic Information
| ChEMBL ID | CHEMBL4524568 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YXCYDYVOLWUXNB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
7
PK Parameters
3
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
3.82
ALogP
7
HBA
3
HBD
105.4
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 8.92 | 8.92 | 1.2 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 179.0 | ng.hr.mL-1 | Rattus norvegicus |
| AUC | 199.0 | ng.hr.mL-1 | Rattus norvegicus |
| CL | 93.2 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 49.72 | nM | Rattus norvegicus |
| F | 24.8 | % | Rattus norvegicus |
| T1/2 | 2.12 | hr | Rattus norvegicus |
| Tmax | 4.0 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO | IC50 | = | 1.2 | nM | 8.92 | 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 | ADMET | 7 |
| 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