Compound Detail
CHEMBL192602
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 | CHEMBL192602 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJDCORPGTMJYTL-NSHDSACASA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
339.4
MW (Da)
2.56
ALogP
3
HBA
3
HBD
90.1
PSA (Ų)
0.78
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A CHEMBL2094128 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | IC50 | 8.7 | 8.7 | 2.0 | 2 |
| A2780 CHEMBL614004 | IC50 | 5.9 | 5.9 | 1270.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-dependent kinase 2/cyclin A | IC50 | = | 2.0 | nM | 8.7 | Inhibition of cyclin dependent kinase 2-cyclin A | 15828833 |
| Cyclin-dependent kinase 2 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of CDK2/Cyclin A | 18037537 |
| Cyclin-dependent kinase 2 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of CDK2/Cyclin A | 18037537 |
| A2780 | IC50 | = | 1270.0 | nM | 5.9 | Inhibitory concentration towards human ovarian carcinoma cell line A2780 | 15828833 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15828833 | 10.1021/jm0408870 | ADMET | 2 |
| 18037537 | 10.1016/j.ejmech.2007.10.016 | Cyclin-dependent kinase 2 | 2 |
| 15828833 | 10.1021/jm0408870 | Cyclin-dependent kinase 2/cyclin A | 1 |
| 15828833 | 10.1021/jm0408870 | A2780 | 1 |
| 15828833 | 10.1021/jm0408870 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine