Compound Detail
CHEMBL1412954
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 | CHEMBL1412954 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VLKGZJJKNXFENI-UHFFFAOYSA-N |
3
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
311.3
MW (Da)
3.07
ALogP
4
HBA
1
HBD
72.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.41
IC50 2 meas. best 5.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha CHEMBL3880 | IC50 | 5.67 | 5.67 | 2133.0 | 1 |
| Alkaline phosphatase, germ cell type CHEMBL3402 | EC50 | 4.41 | 4.41 | 39200.0 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 4.33 | 4.33 | 46900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Heat shock protein HSP 90-alpha | IC50 | = | 2133.0 | nM | 5.67 | PUBCHEM_BIOASSAY: Luminescence-based dose response biochemical high throughput s... | - |
| Alkaline phosphatase, germ cell type | EC50 | = | 39200.0 | nM | 4.41 | PUBCHEM_BIOASSAY: Luminescent assay for HTS discovery of chemical activators of ... | - |
| Heat shock factor protein 1 | EC50 | = | 46900.0 | nM | 4.33 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Retest to Identify Potentiators o... | - |
Data from ChEMBL 36 via Core Engine