Compound Detail
CHEMBL203007
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COc1cc2c(Nc3cnc(NC(=O)c4ccc(C)c(Br)c4)nc3)ncnc2cc1OCCCN1CCOCC1
Basic Information
| ChEMBL ID | CHEMBL203007 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QMPOGHCAFNBWOI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
608.5
MW (Da)
4.60
ALogP
10
HBA
2
HBD
123.6
PSA (Ų)
0.25
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase A CHEMBL4722 | IC50 | 7.16 | 7.16 | 70.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase A | IC50 | = | 70.0 | nM | 7.16 | Inhibitory activity against Aurora A | 16337122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16337122 | 10.1016/j.bmcl.2005.11.053 | Aurora kinase A | 1 |
Data from ChEMBL 36 via Core Engine