Compound Detail
CHEMBL1306960
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
Basic Information
| ChEMBL ID | CHEMBL1306960 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LVBIULKBRHXXAC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1616700 |
| Active Moiety | CHEMBL1616700 |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
470.6
MW (Da)
5.00
ALogP
8
HBA
1
HBD
98.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 6.17 | 5.835 | 679.5 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP90 | IC50 | = | 679.5 | nM | 6.17 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
| Heat shock protein HSP90 | IC50 | = | 3144.1 | nM | 5.5 | PUBCHEM_BIOASSAY: Cell-based secondary assay for identifying Hsp90 inhibitors th... | - |
Data from ChEMBL 36 via Core Engine