Compound Detail
CHEMBL4094277
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Basic Information
| ChEMBL ID | CHEMBL4094277 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XYRHWJSMSHOTBM-JTQLQIEISA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
342.4
MW (Da)
1.95
ALogP
6
HBA
4
HBD
108.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.64
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | EC50 | 5.64 | 5.64 | 2300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of CHK1 (unknown origin) | 29301085 |
| Serine/threonine-protein kinase Chk1 | EC50 | = | 2300.0 | nM | 5.64 | Inhibition of CHK1 in human HT29 cells assessed as abrogation of camptothecin-in... | 29301085 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29301085 | 10.1021/acs.jmedchem.7b01490 | Serine/threonine-protein kinase Chk1 | 2 |
Data from ChEMBL 36 via Core Engine