Compound Detail
CHEMBL5189859
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Basic Information
| ChEMBL ID | CHEMBL5189859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | URIWSSKQIYOZQG-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
6
PK Parameters
3
Publications
0
Known Names
Molecular Properties
473.0
MW (Da)
3.86
ALogP
7
HBA
2
HBD
90.5
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 7.85 | 6.715 | 14.0 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 720.4 | mL.min-1.kg-1 | Homo sapiens |
| CL | 20.1 | mL.min-1.kg-1 | Homo sapiens |
| CL | 1041.0 | mL.min-1.kg-1 | Rattus norvegicus |
| CL | 52.4 | mL.min-1.kg-1 | Rattus norvegicus |
| T1/2 | 0.04 | hr | Homo sapiens |
| T1/2 | 0.04 | 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 | = | 14.0 | nM | 7.85 | Inhibition of human Axl using KKSRGDYMTMQIG as substrate incubated for 40 mins i... | 36325401 |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 2600.0 | nM | 5.58 | Inhibition of AXL (unknown origin) | 38714043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36325401 | 10.1039/d2md00153e | ADMET | 6 |
| 36325401 | 10.1039/d2md00153e | Tyrosine-protein kinase receptor UFO | 1 |
| 38714043 | 10.1016/j.ejmech.2024.116475 | Tyrosine-protein kinase receptor UFO | 1 |
Data from ChEMBL 36 via Core Engine