Compound Detail
CHEMBL4087760
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Basic Information
| ChEMBL ID | CHEMBL4087760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FDEJAQFDFFZDST-VIFPVBQESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
333.4
MW (Da)
2.23
ALogP
5
HBA
2
HBD
77.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.96
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 | 8.96 | 8.96 | 1.1 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 6.11 | 6.11 | 770.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 5.35 | 5.35 | 4500.0 | 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 | = | 1.1 | nM | 8.96 | Inhibition of recombinant human full length Cdc7 (1 to 574 residues)/human N-ter... | 28533114 |
| Rho-associated protein kinase 1 | IC50 | = | 770.0 | nM | 6.11 | Inhibition of recombinant human N-terminal GST-tagged ROCK1 catalytic domain (1 ... | 28533114 |
| Cyclin-dependent kinase 2/cyclin E1 | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of full length human CDC2 (1 to 298 residues)/human N-terminal GST-ta... | 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