Compound Detail
CHEMBL2022973
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Basic Information
| ChEMBL ID | CHEMBL2022973 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DCLWKCJKXWHUIN-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
506.1
MW (Da)
4.60
ALogP
7
HBA
2
HBD
76.6
PSA (Ų)
0.49
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PSN1 CHEMBL614241 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 7.21 | 7.21 | 61.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PSN1 | IC50 | = | 21.0 | nM | 7.68 | Cytotoxicity against human PSN1 cells after 96 hrs by ATP-lite luminescence assa... | 22247788 |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 61.0 | nM | 7.21 | Inhibition of human recombinant His-tagged AXL kinase using fluorescein-labelled... | 22247788 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22247788 | 10.1021/ml200198x | Tyrosine-protein kinase receptor UFO | 1 |
| 22247788 | 10.1021/ml200198x | PSN1 | 1 |
| 22247788 | 10.1021/ml200198x | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine