Compound Detail
CHEMBL381724
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
Basic Information
| ChEMBL ID | CHEMBL381724 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LYDTZBUSUCDSRL-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
1
PK Parameters
8
Publications
0
Known Names
Molecular Properties
515.6
MW (Da)
3.53
ALogP
10
HBA
2
HBD
123.6
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Aurora kinase B CHEMBL2185 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 8.52 | 8.52 | 3.0 | 3 |
| MCF7 CHEMBL387 | IC50 | 6.68 | 6.68 | 210.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Fu | 0.045 | - | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Aurora kinase B | IC50 | = | 1.0 | nM | 9.0 | Inhibition of aurora B kinase | 19320489 |
| Aurora kinase A | IC50 | = | 3.0 | nM | 8.52 | Inhibitory activity against Aurora A | 16337122 |
| Aurora kinase A | IC50 | = | 3.0 | nM | 8.52 | Inhibition of Aurora A | 16884290 |
| Aurora kinase A | IC50 | = | 3.0 | nM | 8.52 | Inhibition of aurora A kinase | 19320489 |
| MCF7 | IC50 | = | 210.0 | nM | 6.68 | Antiproliferative activity against MCF7 cell line | 16337122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3301361 | No relevant target | 2 |
| 16337122 | 10.1016/j.bmcl.2005.11.053 | Aurora kinase A | 1 |
| 16337122 | 10.1016/j.bmcl.2005.11.053 | MCF7 | 1 |
| 16337122 | 10.1016/j.bmcl.2005.11.053 | No relevant target | 1 |
| 16337122 | 10.1016/j.bmcl.2005.11.053 | Rattus norvegicus | 1 |
| 16884290 | 10.1021/jm060522a | Aurora kinase A | 1 |
| 19320489 | 10.1021/jm8012129 | Aurora kinase A | 1 |
| 19320489 | 10.1021/jm8012129 | Aurora kinase B | 1 |
Data from ChEMBL 36 via Core Engine