Compound Detail
CHEMBL401326
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N#Cc1ccc(-c2[nH]nc3c2Cc2cc(C(=O)N[C@H]4CC[C@H](O)CC4)ccc2-3)cc1
Basic Information
| ChEMBL ID | CHEMBL401326 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZFORQSJUGGZQNZ-WGSAOQKQSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
398.5
MW (Da)
3.55
ALogP
4
HBA
3
HBD
101.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 8.22 | 8.22 | 6.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 6.0 | nM | 8.22 | Inhibition of Chk1 | 17827013 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17827013 | 10.1016/j.bmcl.2007.07.102 | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine