Compound Detail
CHEMBL4073971
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Basic Information
| ChEMBL ID | CHEMBL4073971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OAULMYPUJIIBNW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
329.4
MW (Da)
2.32
ALogP
5
HBA
2
HBD
77.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase) CHEMBL2111377 | IC50 | 6.85 | 6.85 | 140.0 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 5.8 | 5.8 | 1600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase) | IC50 | = | 140.0 | nM | 6.85 | Inhibition of recombinant human full length Cdc7 (1 to 574 residues)/human N-ter... | 28533114 |
| Rho-associated protein kinase 1 | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of recombinant human N-terminal GST-tagged ROCK1 catalytic domain (1 ... | 28533114 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28533114 | 10.1016/j.bmc.2017.04.044 | Unchecked | 2 |
| 28533114 | 10.1016/j.bmc.2017.04.044 | CDC7/DBF4 (Cell division cycle 7-related protein kinase/Activator of S phase kinase) | 1 |
| 28533114 | 10.1016/j.bmc.2017.04.044 | Cyclin-dependent kinase 2/cyclin E1 | 1 |
| 28533114 | 10.1016/j.bmc.2017.04.044 | Rho-associated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine