Compound Detail
CHEMBL4573944
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Cc1ccc2c(c1)c(=O)[nH]c1c(C)cc(O)c(-c3ccc([C@@H](C)N(C)C)cc3)c12
Basic Information
| ChEMBL ID | CHEMBL4573944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NHJDVNUQBCIRCJ-MRXNPFEDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
5.29
ALogP
3
HBA
2
HBD
56.3
PSA (Ų)
0.47
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lymphokine-activated killer T-cell-originated protein kinase CHEMBL4896 | IC50 | 5.19 | 5.19 | 6415.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lymphokine-activated killer T-cell-originated protein kinase | IC50 | = | 6415.0 | nM | 5.19 | Inhibition of human TOPK using MBP as substrate after 2 hrs in presence of [gamm... | 30453248 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30453248 | 10.1016/j.ejmech.2018.11.007 | Lymphokine-activated killer T-cell-originated protein kinase | 1 |
| 30453248 | 10.1016/j.ejmech.2018.11.007 | A549 | 1 |
| 30453248 | 10.1016/j.ejmech.2018.11.007 | HCT-116 | 1 |
| 30453248 | 10.1016/j.ejmech.2018.11.007 | HCT-15 | 1 |
Data from ChEMBL 36 via Core Engine