Compound Detail
CHEMBL2332354
CATALPOSIDE Enter ChEMBL ID:
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O=C(O[C@H]1[C@@H]2C=CO[C@@H](O[C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)[C@@H]2[C@@]2(CO)O[C@@H]12)c1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL2332354 |
| Name | CATALPOSIDE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UXSACQOOWZMGSE-RWORTQBESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
482.4
MW (Da)
-2.02
ALogP
12
HBA
6
HBD
187.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | Kd | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | Kd | = | 12.0 | nM | 7.92 | Binding affinity to recombinant Hsp90 alpha (unknown origin) by surface plasmon ... | 23362862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23362862 | 10.1021/jm301398y | Heat shock protein HSP 90-alpha | 2 |
| 26859776 | 10.1021/acs.jnatprod.5b01126 | NON-PROTEIN TARGET | 2 |
| - | 10.6019/CHEMBL5096127 | Schistosoma mansoni | 2 |
| 26859776 | 10.1021/acs.jnatprod.5b01126 | A2780 | 1 |
| 26859776 | 10.1021/acs.jnatprod.5b01126 | HT-29 | 1 |
| 26859776 | 10.1021/acs.jnatprod.5b01126 | A549 | 1 |
| 28787158 | 10.1021/acs.jnatprod.7b00139 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine