Compound Detail
CHEMBL190171
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 | CHEMBL190171 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPGLUUJFWLJKLN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
408.4
MW (Da)
1.53
ALogP
8
HBA
3
HBD
146.0
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B CHEMBL2094127 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.39 | 5.39 | 4100.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.54 | 4.54 | 28500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 1/cyclin B | IC50 | = | 2100.0 | nM | 5.68 | Inhibition of Cyclin B-cyclin-dependent kinase 1 | 15974571 |
| HCT-116 | IC50 | = | 4100.0 | nM | 5.39 | In vitro inhibitory concentration against cell proliferation in human HCT116 (co... | 15974571 |
| HeLa | IC50 | = | 28500.0 | nM | 4.54 | In vitro inhibitory concentration against cell proliferation in human HeLa (cerv... | 15974571 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15974571 | 10.1021/jm050267e | Cyclin-dependent kinase 1/cyclin B | 1 |
| 15974571 | 10.1021/jm050267e | HeLa | 1 |
| 15974571 | 10.1021/jm050267e | HCT-116 | 1 |
| 15974571 | 10.1021/jm050267e | A-375 | 1 |
Data from ChEMBL 36 via Core Engine