Compound Detail
CHEMBL233831
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1cc2c(cc1CN1CCN(C)CC1)Cc1c(-c3ccc(-c4ccc(O)c(F)c4)cc3)n[nH]c1-2
Basic Information
| ChEMBL ID | CHEMBL233831 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OKZVFXHUQZQGPK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
8
PK Parameters
2
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
4.92
ALogP
5
HBA
2
HBD
64.6
PSA (Ų)
0.37
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 CHEMBL4630 | IC50 | 7.55 | 7.55 | 28.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 690.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 1600.0 | ng.hr.mL-1 | Mus musculus |
| AUC | 130.0 | ng.hr.mL-1 | Mus musculus |
| CL | 183.33 | mL.min-1.kg-1 | Mus musculus |
| Cmax | 1300.0 | nM | Mus musculus |
| Cmax | 80.0 | nM | Mus musculus |
| F | 6.0 | % | Mus musculus |
| T1/2 | 0.6 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase Chk1 | IC50 | = | 28.0 | nM | 7.55 | Inhibition of recombinant CHK-mediated Cdc25C phosphorylation after 30 mins | 17490879 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17490879 | 10.1016/j.bmcl.2007.04.055 | Mus musculus | 9 |
| 17490879 | 10.1016/j.bmcl.2007.04.055 | Serine/threonine-protein kinase Chk1 | 1 |
Data from ChEMBL 36 via Core Engine