Compound Detail
CHEMBL4740334
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Basic Information
| ChEMBL ID | CHEMBL4740334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ICXIWZZELJHOKA-GOSISDBHSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
441.5
MW (Da)
2.44
ALogP
10
HBA
3
HBD
125.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.07
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.07 | 7.035 | 8.5 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 8.5 | nM | 8.07 | Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH pep... | 27167172 |
| Serine/threonine-protein kinase Chk1 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of CHK1 in human HT-29 cells assessed as abrogation of etoposide-indu... | 27167172 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 16000.0 | nM | 4.8 | Displacement of [3H]astemizole from human ERG expressed in HEK293 cells by radio... | 27167172 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27167172 | 10.1021/acs.jmedchem.5b01938 | Unchecked | 2 |
| 27167172 | 10.1021/acs.jmedchem.5b01938 | Serine/threonine-protein kinase Chk1 | 2 |
| 27167172 | 10.1021/acs.jmedchem.5b01938 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
Data from ChEMBL 36 via Core Engine