Compound Detail
CHEMBL2419341
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
CO[C@H]1/C=C\C=C(/C)C(=O)NC2=CC(=O)C(NCCCCNC(=O)Cc3ccc4c(c3)C(C)(C)C3=[N+]4CCC4OC5CCN6C(=C5C=C34)C(C)(C)c3cc(S(=O)(=O)[O-])ccc36)=C(C[C@@H](C)C[C@H](OC)[C@H](O)[C@@H](C)/C=C(\C)[C@@H]1OC(N)=O)C2=O
Basic Information
| ChEMBL ID | CHEMBL2419341 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SAQDJUVZVCJZBP-LWAVODEVSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
1159.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 4 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | Kd | 9.15 | 9.15 | 0.7 | 1 |
| Heat shock protein HSP 90-beta CHEMBL4303 | Kd | 8.66 | 8.66 | 2.2 | 1 |
| Endoplasmin CHEMBL4748 | Kd | 8.6 | 8.6 | 2.5 | 1 |
| Heat shock protein 75 kDa, mitochondrial CHEMBL1075132 | Kd | 7.29 | 7.29 | 51.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | Kd | = | 0.7 | nM | 9.15 | Binding affinity to HSP90alpha (unknown origin) by fluorescence polarization ass... | 23965125 |
| Heat shock protein HSP 90-beta | Kd | = | 2.2 | nM | 8.66 | Binding affinity to recombinant HSP90beta (unknown origin) by fluorescence polar... | 23965125 |
| Endoplasmin | Kd | = | 2.5 | nM | 8.6 | Binding affinity to dog Grp94 by fluorescence polarization assay | 23965125 |
| Heat shock protein 75 kDa, mitochondrial | Kd | = | 51.8 | nM | 7.29 | Binding affinity to recombinant human Trap-1 by fluorescence polarization assay | 23965125 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23965125 | 10.1021/jm400619b | Heat shock protein 75 kDa, mitochondrial | 1 |
| 23965125 | 10.1021/jm400619b | Endoplasmin | 1 |
| 23965125 | 10.1021/jm400619b | Heat shock protein HSP 90-beta | 1 |
| 23965125 | 10.1021/jm400619b | Heat shock protein HSP 90-alpha | 1 |
Data from ChEMBL 36 via Core Engine