Compound Detail
CHEMBL2018276
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Basic Information
| ChEMBL ID | CHEMBL2018276 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDPKIGRYBURQND-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
299.8
MW (Da)
3.54
ALogP
4
HBA
1
HBD
60.9
PSA (Ų)
0.75
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | IC50 | 4.79 | 4.79 | 16300.0 | 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 | = | 16300.0 | nM | 4.79 | Inhibition of NOD-1 mediated NFkappaB activation in HEK293T cells assessed as in... | 22003428 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22003428 | 10.1021/ml200158b | Nucleotide-binding oligomerization domain-containing protein 1 | 1 |
| 22003428 | 10.1021/ml200158b | Nucleotide-binding oligomerization domain-containing protein 2 | 1 |
| 22003428 | 10.1021/ml200158b | Unchecked | 1 |
| 22003428 | 10.1021/ml200158b | HEK-293T | 1 |
Data from ChEMBL 36 via Core Engine