Compound Detail
CHEMBL1332003
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Basic Information
| ChEMBL ID | CHEMBL1332003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UYCKQUDIDRJMIM-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
351.8
MW (Da)
4.58
ALogP
4
HBA
1
HBD
60.1
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.71
EC50 1 meas. best 5.76
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.76 | 5.76 | 1723.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.71 | 5.71 | 1960.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | IC50 | 5.46 | 5.46 | 3470.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | IC50 | 5.44 | 5.44 | 3630.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1723.0 | nM | 5.76 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| HEK293 | IC50 | = | 1960.0 | nM | 5.71 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Nucleotide-binding oligomerization domain-containing protein 1 | IC50 | = | 3470.0 | nM | 5.46 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD1 - Set 2. (Class of... | - |
| Nucleotide-binding oligomerization domain-containing protein 2 | IC50 | = | 3630.0 | nM | 5.44 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD2 - Set 2. (Class of... | - |
Data from ChEMBL 36 via Core Engine