Compound Detail
CHEMBL3360774
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CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(=O)O)NC(C)=O)[C@@H](C)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)[C@@H](C)CC
Basic Information
| ChEMBL ID | CHEMBL3360774 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BCGLTGCVJKRVTG-ZYTJMFNWSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
1936.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-beta CHEMBL4303 | IC50 | 4.98 | 4.98 | 10400.0 | 1 |
| Heat shock protein HSP 90 CHEMBL1667702 | IC50 | 4.42 | 4.42 | 38000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-beta | IC50 | = | 10400.0 | nM | 4.98 | Inhibition of HSP90 in human MDA-kb2 cells assessed as reduction in glucocortico... | 24984936 |
| Heat shock protein HSP 90 | IC50 | = | 38000.0 | nM | 4.42 | Inhibition of HSP90 in rabbit reticulocyte lysate after 90 mins by luciferase re... | 24984936 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24984936 | 10.1016/j.bmc.2014.06.006 | Heat shock protein HSP 90 | 1 |
| 24984936 | 10.1016/j.bmc.2014.06.006 | Heat shock protein HSP 90-beta | 1 |
| 24984936 | 10.1016/j.bmc.2014.06.006 | NON-PROTEIN TARGET | 1 |
| 24984936 | 10.1016/j.bmc.2014.06.006 | No relevant target | 1 |
| 24984936 | 10.1016/j.bmc.2014.06.006 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine