Compound Detail
CHEMBL1495977
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Basic Information
| ChEMBL ID | CHEMBL1495977 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFFRIQFCZUGKAV-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
359.4
MW (Da)
4.58
ALogP
7
HBA
1
HBD
64.1
PSA (Ų)
0.54
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Krueppel-like factor 5 CHEMBL1293249 | IC50 | 8.16 | 8.16 | 7.0 | 1 |
| Tumor necrosis factor CHEMBL1825 | IC50 | 6.33 | 6.33 | 462.0 | 1 |
| Induced myeloid leukemia cell differentiation protein Mcl-1 CHEMBL4361 | IC50 | 5.95 | 5.95 | 1112.2 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | IC50 | 5.72 | 5.72 | 1910.0 | 1 |
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 4.47 | 4.47 | 34008.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Krueppel-like factor 5 | IC50 | = | 6.98 | nM | 8.16 | PUBCHEM_BIOASSAY: Luminescence-based dose response cell-based high throughput sc... | - |
| Tumor necrosis factor | IC50 | = | 462.0 | nM | 6.33 | PUBCHEM_BIOASSAY: SAR analysis of inhibitors of TNFa specific NF-kB induction re... | - |
| Induced myeloid leukemia cell differentiation protein Mcl-1 | IC50 | = | 1112.15 | nM | 5.95 | PUBCHEM_BIOASSAY: Dose Response Confirmation for Mcl-1/Noxa Interaction Inhibito... | - |
| Nucleotide-binding oligomerization domain-containing protein 1 | IC50 | = | 1910.0 | nM | 5.72 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD1 revised. (Class of... | - |
| COUP transcription factor 2 | IC50 | = | 34008.0 | nM | 4.47 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
Data from ChEMBL 36 via Core Engine