Compound Detail
CHEMBL1271644
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 | CHEMBL1271644 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUWAYASUNDRSML-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
1
PK Parameters
12
Publications
0
Known Names
Molecular Properties
488.5
MW (Da)
2.13
ALogP
9
HBA
3
HBD
123.2
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 8.7 | 8.7 | 2.0 | 2 |
| A2780 CHEMBL614004 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.23 | 7.23 | 59.0 | 1 |
| Receptor-type tyrosine-protein kinase FLT3 CHEMBL1974 | IC50 | 6.71 | 6.71 | 194.0 | 1 |
| Serine/threonine-protein kinase Nek6 CHEMBL4309 | IC50 | 6.22 | 6.22 | 595.0 | 1 |
| Serine/threonine-protein kinase PLK3 CHEMBL4897 | IC50 | 5.84 | 5.84 | 1433.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 6.9 | mL.min-1.kg-1 | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of PLK1 | 20932759 |
| Serine/threonine-protein kinase PLK1 | IC50 | = | 2.0 | nM | 8.7 | Biochemical Assay: The inhibitory activity of putative kinase inhibitors and the... | - |
| A2780 | IC50 | = | 30.0 | nM | 7.52 | Antiproliferative activity against human A2780 cells after 72 hrs by CellTiter-G... | 20932759 |
| Unchecked | IC50 | = | 59.0 | nM | 7.23 | Inhibition of casein kinase 2 | 20932759 |
| Receptor-type tyrosine-protein kinase FLT3 | IC50 | = | 194.0 | nM | 6.71 | Inhibition of FLT3 | 20932759 |
| Serine/threonine-protein kinase Nek6 | IC50 | = | 595.0 | nM | 6.22 | Inhibition of NEK6 | 20932759 |
| Serine/threonine-protein kinase PLK3 | IC50 | = | 1433.0 | nM | 5.84 | Inhibition of PLK3 | 20932759 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20932759 | 10.1016/j.bmcl.2010.09.060 | No relevant target | 2 |
| 20932759 | 10.1016/j.bmcl.2010.09.060 | Unchecked | 2 |
| 20932759 | 10.1016/j.bmcl.2010.09.060 | Serine/threonine-protein kinase PLK1 | 1 |
| 20932759 | 10.1016/j.bmcl.2010.09.060 | ADMET | 1 |
| 20932759 | 10.1016/j.bmcl.2010.09.060 | Serine/threonine-protein kinase Nek6 | 1 |
| 20932759 | 10.1016/j.bmcl.2010.09.060 | Receptor-type tyrosine-protein kinase FLT3 | 1 |
| 20932759 | 10.1016/j.bmcl.2010.09.060 | A2780 | 1 |
| 20932759 | 10.1016/j.bmcl.2010.09.060 | Serine/threonine-protein kinase PLK3 | 1 |
| 20932759 | 10.1016/j.bmcl.2010.09.060 | Serine/threonine-protein kinase PLK2 | 1 |
| 20932759 | 10.1016/j.bmcl.2010.09.060 | Cyclin-dependent kinase 2/cyclin A | 1 |
| 20932759 | 10.1016/j.bmcl.2010.09.060 | ALK tyrosine kinase receptor | 1 |
| 20932759 | 10.1016/j.bmcl.2010.09.060 | Liver microsomes | 1 |
Data from ChEMBL 36 via Core Engine