Compound Detail
CHEMBL389816
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Basic Information
| ChEMBL ID | CHEMBL389816 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FYNVJEWGKOWZIY-UHFFFAOYSA-N |
2
Targets
4
Activities
3
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
4.58
ALogP
5
HBA
2
HBD
93.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.0
EC50 1 meas. best 4.32
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.0 | 8.0 | 10.0 | 2 |
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | Ki | 8.0 | 8.0 | 10.0 | 1 |
| HeLa CHEMBL399 | EC50 | 4.32 | 4.32 | 47700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human recombinant Chk1 | 17658776 |
| Serine/threonine-protein kinase Chk1 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of recombinant Chk1 | 18358720 |
| Serine/threonine-protein kinase Chk1 | Ki | = | 10.0 | nM | 8.0 | Inhibition of Chk1 | 19385614 |
| HeLa | EC50 | = | 47700.0 | nM | 4.32 | Antiproliferative activity against human HeLa cells after 48 hrs by MTS assay | 18358720 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17658776 | 10.1021/jm070105d | Serine/threonine-protein kinase Chk1 | 1 |
| 18358720 | 10.1016/j.bmcl.2008.02.080 | Serine/threonine-protein kinase Chk1 | 1 |
| 18358720 | 10.1016/j.bmcl.2008.02.080 | HeLa | 1 |
| 19385614 | 10.1021/jm801444x | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine