Compound Detail
CHEMBL242754
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O=C(c1ccc2c(c1)Cc1c(-c3ccc(-c4ccc(O)cc4)cc3)n[nH]c1-2)N1CCC(O)CC1
Basic Information
| ChEMBL ID | CHEMBL242754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROMVJPWTULAPJB-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
451.5
MW (Da)
4.62
ALogP
4
HBA
3
HBD
89.5
PSA (Ų)
0.37
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.6
IC50 1 meas. best 8.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.44 | 8.44 | 3.6 | 1 |
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | EC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 3.6 | nM | 8.44 | Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation | 17287122 |
| Serine/threonine-protein kinase Chk1 | EC50 | = | 25000.0 | nM | 4.6 | Inhibition of cell proliferation in human HeLa cells by MTS assay | 17287122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17287122 | 10.1016/j.bmc.2007.01.012 | Serine/threonine-protein kinase Chk1 | 3 |
Data from ChEMBL 36 via Core Engine