Compound Detail
CHEMBL4204389
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Basic Information
| ChEMBL ID | CHEMBL4204389 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LIMOUCQGJZDFKP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
166.6
MW (Da)
2.52
ALogP
1
HBA
1
HBD
28.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 4.7 | 4.7 | 20200.0 | 1 |
| Protein kinase C iota type CHEMBL2598 | IC50 | 3.35 | 3.35 | 452000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO | IC50 | = | 20200.0 | nM | 4.7 | Inhibition of Axl (unknown origin) using 5'FAM labeled KKKKEEIYFFF-NH2 peptide a... | 34600239 |
| Protein kinase C iota type | IC50 | = | 452000.0 | nM | 3.35 | Inhibition of full-length N-terminal GST-fused human PKC-iota expressed in bacul... | 29688013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29688013 | 10.1021/acs.jmedchem.8b00060 | Protein kinase C iota type | 1 |
| 34600239 | 10.1016/j.bmc.2021.116437 | Tyrosine-protein kinase receptor UFO | 1 |
Data from ChEMBL 36 via Core Engine