Compound Detail
CHEMBL1351799
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Basic Information
| ChEMBL ID | CHEMBL1351799 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WJDZZRSELRBXOP-NTEUORMPSA-N |
6
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
410.8
MW (Da)
3.66
ALogP
6
HBA
1
HBD
109.4
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 5.47
IC50 3 meas. best 6.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 6.12 | 6.12 | 751.6 | 1 |
| Ephrin type-A receptor 4 CHEMBL1293259 | IC50 | 5.6 | 5.6 | 2530.0 | 1 |
| Large ribosomal subunit protein eL19A CHEMBL1741172 | EC50 | 5.47 | 5.47 | 3354.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.76 | 4.76 | 17356.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.7 | 4.7 | 19906.0 | 1 |
| Aminopeptidase N CHEMBL4117 | IC50 | 4.1 | 4.1 | 80090.0 | 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 | = | 751.61 | nM | 6.12 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Ephrin type-A receptor 4 | IC50 | = | 2530.0 | nM | 5.6 | PUBCHEM_BIOASSAY: Colorimetric assay for HTS discovery of chemical inhibitors of... | - |
| Large ribosomal subunit protein eL19A | EC50 | = | 3354.0 | nM | 5.47 | PUBCHEM_BIOASSAY: Dose Response of TOR pathway GFP-fusion proteins in Saccharomy... | - |
| Zinc finger protein mex-5 | EC50 | = | 17356.0 | nM | 4.76 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 19906.0 | nM | 4.7 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| Aminopeptidase N | IC50 | = | 80090.0 | nM | 4.1 | PUBCHEM_BIOASSAY: Inhibitors of Plasmodium falciparum M1- Family Alanyl Aminopep... | - |
Data from ChEMBL 36 via Core Engine