Compound Detail
CHEMBL396027
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O=C(NS(=O)(=O)c1ccccc1)c1ccc(-c2n[nH]c3c2Cc2cc(CN[C@H]4CC[C@H](O)CC4)ccc2-3)cc1
Basic Information
| ChEMBL ID | CHEMBL396027 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SIUQVPRWGWCFKI-RQNOJGIXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
542.7
MW (Da)
4.16
ALogP
6
HBA
4
HBD
124.2
PSA (Ų)
0.24
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 5.51 | 5.51 | 3064.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 3064.0 | nM | 5.51 | Inhibition of recombinant CHK1 assessed as human Cdc25C phosphorylation | 17287122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17287122 | 10.1016/j.bmc.2007.01.012 | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine