Compound Detail
CHEMBL1445071
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Basic Information
| ChEMBL ID | CHEMBL1445071 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CUHWDVVYPFZCKT-XGICHPGQSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
423.6
MW (Da)
3.28
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.07
IC50 1 meas. best 5.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | IC50 | 5.46 | 5.46 | 3490.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 5.07 | 5.07 | 8570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 1 | IC50 | = | 3490.0 | nM | 5.46 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD1 revised. (Class of... | - |
| HEK293 | EC50 | = | 8570.0 | nM | 5.07 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
Data from ChEMBL 36 via Core Engine