Compound Detail
CHEMBL2392546
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
COc1cc(C(=O)NC2CCN(C)CC2)cc(F)c1Nc1ncc2c(n1)N(C1CCCC1)CC(F)(F)C(=O)N2C
Basic Information
| ChEMBL ID | CHEMBL2392546 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYSOLHCQRQBXQP-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
561.6
MW (Da)
3.55
ALogP
8
HBA
2
HBD
102.9
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.58
IC50 1 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 CHEMBL3024 | IC50 | 7.09 | 7.09 | 81.0 | 1 |
| HT-29 CHEMBL384 | EC50 | 6.58 | 6.58 | 264.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase PLK1 | IC50 | = | 81.0 | nM | 7.09 | Inhibition of PLK1 (unknown origin) using biotin-AGAGTVPESIHSFIGDGLV as substrat... | 23664874 |
| HT-29 | EC50 | = | 264.0 | nM | 6.58 | Antiproliferative activity against human HT-29 cells after 72 hrs by Cell Titer-... | 23664874 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23664874 | 10.1016/j.bmcl.2013.02.083 | ADMET | 1 |
| 23664874 | 10.1016/j.bmcl.2013.02.083 | HT-29 | 1 |
| 23664874 | 10.1016/j.bmcl.2013.02.083 | Serine/threonine-protein kinase PLK1 | 1 |
Data from ChEMBL 36 via Core Engine