Compound Detail
CHEMBL2022975
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CN1CCN(Cc2ccc(Nc3ncc(Cl)c(Nc4ccccc4S(=O)(=O)N4CCCC4)n3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL2022975 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEBSKSLIQGSHRV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
542.1
MW (Da)
4.15
ALogP
8
HBA
2
HBD
93.7
PSA (Ų)
0.44
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| PSN1 CHEMBL614241 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| PSN1 | IC50 | = | 2.0 | nM | 8.7 | Cytotoxicity against human PSN1 cells after 96 hrs by ATP-lite luminescence assa... | 22247788 |
| Tyrosine-protein kinase receptor UFO | IC50 | = | 19.0 | nM | 7.72 | 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