Compound Detail
CHEMBL4435319
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COc1c(C)c(OC(=O)c2c(C)c(C)c(OC(=O)c3c(C)c(Oc4c(C)c(C)c(C(=O)Oc5c(C)c(C)c(C(=O)O)c(OC)c5C)c(OC)c4C)c(O)c(C)c3O)c(C)c2OC)c(C)c(C)c1C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4435319 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BOFISKFABQHONR-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
967.0
MW (Da)
10.30
ALogP
15
HBA
4
HBD
240.1
PSA (Ų)
0.06
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Proteasome assembly chaperone 3 CHEMBL1075137 | IC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Proteasome assembly chaperone 3 | IC50 | = | 20.0 | nM | 7.7 | Inhibition of PAC3 homodimer (unknown origin) protein-protein interaction | 30455074 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30455074 | 10.1016/j.bmc.2018.11.001 | Proteasome assembly chaperone 3 | 3 |
| 30455074 | 10.1016/j.bmc.2018.11.001 | PAC1-PAC2 complex | 3 |
Data from ChEMBL 36 via Core Engine