Compound Detail
CHEMBL1917729
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Basic Information
| ChEMBL ID | CHEMBL1917729 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLQIPNRXDPWOES-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
4.10
ALogP
5
HBA
3
HBD
109.6
PSA (Ų)
0.41
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.21 | 6.21 | 610.0 | 1 |
| Heat shock protein HSP 90-beta CHEMBL4303 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 610.0 | nM | 6.21 | Inhibition of yeast Hsp82 assessed as decrease in ATPase activity after 60 mins ... | 21972823 |
| Heat shock protein HSP 90-beta | IC50 | = | 900.0 | nM | 6.05 | Inhibition of HSP90beta in human SKBR3 cells assessed as down regulation of HER2... | 21972823 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL3885741 | Heat shock protein HSP 90-alpha | 2 |
| 21972823 | 10.1021/jm200784m | Unchecked | 1 |
| 21972823 | 10.1021/jm200784m | Heat shock protein HSP 90-beta | 1 |
Data from ChEMBL 36 via Core Engine