Compound Detail
CHEMBL3393766
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
CC[C@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3393766 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | RFILUVYKOZQZIU-GXTUSLNOSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1040.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.7
Kd 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-A2 CHEMBL2582 | Kd | 7.72 | 7.72 | 19.0 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
| Cyclin-dependent kinase 4/cyclin D1 CHEMBL1907601 | IC50 | 6.92 | 6.92 | 120.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cyclin-A2 | Kd | = | 19.0 | nM | 7.72 | Binding affinity to cyclin A2 (174 to 432) (unknown origin) by fluorescence pola... | 25454794 |
| CDK2/Cyclin A2 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of human recombinant CDK2/Cyclin A using fluoresceinyl-Ahx-Pro-Val-Ly... | 25454794 |
| Cyclin-dependent kinase 4/cyclin D1 | IC50 | = | 120.0 | nM | 6.92 | Inhibition of human recombinant CDK4/Cyclin D1 using fluoresceinyl-Ahx-Pro-Val-L... | 25454794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25454794 | 10.1021/jm5015023 | Cyclin-A2 | 1 |
| 25454794 | 10.1021/jm5015023 | Cyclin-dependent kinase 4/cyclin D1 | 1 |
| 25454794 | 10.1021/jm5015023 | CDK2/Cyclin A2 | 1 |
Data from ChEMBL 36 via Core Engine