Compound Detail
CHEMBL3193785
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Basic Information
| ChEMBL ID | CHEMBL3193785 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XNLDSALKXMOTER-JXAWBTAJSA-N |
5
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
296.3
MW (Da)
1.66
ALogP
5
HBA
0
HBD
76.8
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.34
IC50 1 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 6.14 | 6.14 | 730.2 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 CHEMBL2095162 | EC50 | 5.34 | 5.34 | 4590.0 | 1 |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 CHEMBL2095163 | EC50 | 5.06 | 5.06 | 8729.0 | 1 |
| Zinc finger protein mex-5 CHEMBL1293319 | EC50 | 4.74 | 4.74 | 18168.0 | 1 |
| RNA-binding protein pos-1 CHEMBL1293304 | EC50 | 4.71 | 4.71 | 19587.0 | 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 | = | 730.16 | nM | 6.14 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 1 | EC50 | = | 4590.0 | nM | 5.34 | PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening as... | - |
| Peroxisome proliferator-activated receptor gamma/Nuclear receptor coactivator 2 | EC50 | = | 8729.0 | nM | 5.06 | PUBCHEM_BIOASSAY: TR-FRET dose response biochemical High Throughput Screening as... | - |
| Zinc finger protein mex-5 | EC50 | = | 18168.0 | nM | 4.74 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
| RNA-binding protein pos-1 | EC50 | = | 19587.0 | nM | 4.71 | PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Iden... | - |
Data from ChEMBL 36 via Core Engine