Compound Detail
CHEMBL2023345
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CN1CCN(Cc2ccc(Nc3ncc(Cl)c(-c4ccc(F)cc4S(=O)(=O)N(C)C)n3)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL2023345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAFKQPHWLBYNEY-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
519.0
MW (Da)
3.68
ALogP
7
HBA
1
HBD
81.7
PSA (Ų)
0.51
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO CHEMBL4895 | IC50 | 7.09 | 7.09 | 82.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tyrosine-protein kinase receptor UFO | IC50 | = | 82.0 | nM | 7.09 | 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