Compound Detail
CHEMBL5590462
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]1NC(=O)[C@H](CO)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)[C@@H]2CSSC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]3CCCN3C(=O)[C@@H]3CCCN3C1=O)C(=O)N[C@@H](CC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)N2
Basic Information
| ChEMBL ID | CHEMBL5590462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FCQVEHHVOKWUFI-CDWYDQCMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1609.0
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Inducible T-cell costimulator CHEMBL3712953 | Kd | 5.35 | 5.35 | 4470.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Inducible T-cell costimulator | Kd | = | 4470.0 | nM | 5.35 | Binding affinity to ICOS (unknown origin) assessed as dissociation constant | 38185345 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38185345 | 10.1016/j.bmcl.2024.129599 | ICOS-ICOSL | 2 |
| 38185345 | 10.1016/j.bmcl.2024.129599 | Inducible T-cell costimulator | 1 |
Data from ChEMBL 36 via Core Engine