Compound Detail
CHEMBL147290
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 | CHEMBL147290 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PDHGOPVHZSWSKJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
425.4
MW (Da)
4.01
ALogP
5
HBA
3
HBD
109.0
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E CHEMBL2094126 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 6.42 | 6.42 | 378.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 5.94 | 5.94 | 1150.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin E | IC50 | = | 29.0 | nM | 7.54 | Compound was evaluated for inhibition of Cyclin-dependent kinase 2-cyclin E | 12431050 |
| HCT-116 | IC50 | = | 378.0 | nM | 6.42 | Toxicity tested against transformed human colon cancer cell line (HCT116) | 12431050 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 1150.0 | nM | 5.94 | Compound was evaluated for 50% inhibition of Cyclin-dependent kinase 4-cyclin D1 | 12431050 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12431050 | 10.1021/jm020171+ | HCT-116 | 2 |
| 12431050 | 10.1021/jm020171+ | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 12431050 | 10.1021/jm020171+ | Cyclin-dependent kinase 2/cyclin E | 1 |
| 12431050 | 10.1021/jm020171+ | AG1523 | 1 |
Data from ChEMBL 36 via Core Engine