Compound Detail
CHEMBL1468811
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 | CHEMBL1468811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JIJUNVBLNUUGJC-UHFFFAOYSA-N |
6
Targets
9
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
4.57
ALogP
7
HBA
3
HBD
96.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 6 meas. best 5.7
IC50 3 meas. best 6.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 6.11 | 6.11 | 785.9 | 1 |
| ATP-dependent molecular chaperone HSP82 CHEMBL1293251 | EC50 | 5.7 | 5.7 | 2020.0 | 1 |
| Ephrin type-A receptor 4 CHEMBL1293259 | IC50 | 5.7 | 5.7 | 2020.0 | 1 |
| Estrogen receptor beta CHEMBL242 | IC50 | 5.5 | 5.5 | 3129.2 | 1 |
| Heat shock factor protein 1 CHEMBL5313 | EC50 | 5.38 | 5.38 | 4221.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.33 | 5.2725 | 4680.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
Data from ChEMBL 36 via Core Engine