Compound Detail
CHEMBL1544329
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 | CHEMBL1544329 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NZAABZZVWXTTTF-UHFFFAOYSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
454.6
MW (Da)
2.52
ALogP
6
HBA
1
HBD
101.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas.
IC50 2 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 14-3-3 protein gamma CHEMBL1293296 | IC50 | 5.05 | 5.05 | 8916.9 | 1 |
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 4.76 | 4.76 | 17411.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 14-3-3 protein gamma | IC50 | = | 8916.9 | nM | 5.05 | PUBCHEM_BIOASSAY: 14-3-3 protein interaction modulators Dose Response Confirmati... | - |
| Heat shock protein HSP90 | IC50 | = | 17411.1 | nM | 4.76 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
Data from ChEMBL 36 via Core Engine