Compound Detail
CHEMBL1595790
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Basic Information
| ChEMBL ID | CHEMBL1595790 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FEGRDSCRSPKTQN-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
274.3
MW (Da)
2.24
ALogP
4
HBA
2
HBD
93.5
PSA (Ų)
0.62
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.02
EC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | EC50 | 8.0 | 8.0 | 10.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | IC50 | 7.02 | 7.02 | 94.9 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.33 | 5.75 | 470.0 | 2 |
| HEK293 CHEMBL614818 | IC50 | 5.33 | 5.33 | 4714.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 2 | EC50 | = | 10.0 | nM | 8.0 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Nucleotide-binding oligomerization domain-containing protein 1 | IC50 | = | 94.9 | nM | 7.02 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD1 revised. (Class of... | - |
| Unchecked | IC50 | = | 470.0 | nM | 6.33 | PUBCHEM_BIOASSAY: Dose Response selectivity of uHTS chemical inhibitors of T-cel... | - |
| HEK293 | IC50 | = | 4714.0 | nM | 5.33 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Unchecked | IC50 | = | 6680.0 | nM | 5.17 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS chemical inhibitors of T-ce... | - |
Data from ChEMBL 36 via Core Engine