Compound Detail
CHEMBL1401406
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 | CHEMBL1401406 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BWSUBRDYAWVWCO-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
388.4
MW (Da)
2.34
ALogP
8
HBA
0
HBD
96.0
PSA (Ų)
0.56
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.57
IC50 2 meas. best 5.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.2 | 5.2 | 6338.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.57 | 4.57 | 26700.0 | 1 |
| Bcl-2-like protein 1 CHEMBL4625 | IC50 | 4.57 | 4.57 | 27252.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.43 | 4.43 | 36792.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 6338.0 | nM | 5.2 | PUBCHEM_BIOASSAY: Fluorescence polarization-based biochemical high throughput do... | - |
| Zinc finger protein mex-5 | EC50 | = | 26700.0 | nM | 4.57 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Bcl-2-like protein 1 | IC50 | = | 27252.0 | nM | 4.57 | PUBCHEM_BIOASSAY: Counterscreen for inhibitors of MCL1: fluorescence polarizatio... | - |
| RNA-binding protein pos-1 | EC50 | = | 36792.0 | nM | 4.43 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine