Compound Detail
CHEMBL1465720
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Basic Information
| ChEMBL ID | CHEMBL1465720 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GYQNXYQGNUDXME-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
338.5
MW (Da)
4.08
ALogP
5
HBA
1
HBD
41.0
PSA (Ų)
0.78
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.79
EC50 2 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HEK293 CHEMBL614818 | IC50 | 5.79 | 5.71 | 1606.0 | 2 |
| HEK293 CHEMBL614818 | EC50 | 5.72 | 5.72 | 1920.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.65 | 5.365 | 2220.0 | 2 |
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | EC50 | 5.11 | 5.11 | 7780.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HEK293 | IC50 | = | 1606.0 | nM | 5.79 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
| HEK293 | EC50 | = | 1920.0 | nM | 5.72 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Unchecked | IC50 | = | 2220.0 | nM | 5.65 | PUBCHEM_BIOASSAY: Dose response counterscreen of uHTS chemical inhibitors of T-c... | - |
| HEK293 | IC50 | = | 2361.0 | nM | 5.63 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Nucleotide-binding oligomerization domain-containing protein 2 | EC50 | = | 7780.0 | nM | 5.11 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Unchecked | IC50 | = | 8310.0 | nM | 5.08 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of T-cel... | - |
Data from ChEMBL 36 via Core Engine