Compound Detail
CHEMBL4742116
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Basic Information
| ChEMBL ID | CHEMBL4742116 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KLSUVMORJRBIMY-QGZVFWFLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
421.9
MW (Da)
3.21
ALogP
8
HBA
3
HBD
107.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.28 | 7.25 | 5.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 5.2 | nM | 8.28 | Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH pep... | 27167172 |
| Serine/threonine-protein kinase Chk1 | IC50 | = | 600.0 | nM | 6.22 | Inhibition of CHK1 in human HT-29 cells assessed as abrogation of etoposide-indu... | 27167172 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27167172 | 10.1021/acs.jmedchem.5b01938 | Serine/threonine-protein kinase Chk1 | 2 |
| 27167172 | 10.1021/acs.jmedchem.5b01938 | Unchecked | 1 |
| 27167172 | 10.1021/acs.jmedchem.5b01938 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
Data from ChEMBL 36 via Core Engine