Compound Detail
CHEMBL4800550
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Basic Information
| ChEMBL ID | CHEMBL4800550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LDIJDOKEQHBJGH-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
3.89
ALogP
5
HBA
2
HBD
71.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | IC50 | 4.64 | 4.64 | 22900.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | IC50 | 4.56 | 4.56 | 27800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 2 | IC50 | = | 22900.0 | nM | 4.64 | Antagonist activity at human NOD2 expressed in HEK293 cells assessed as reductio... | 32014680 |
| Nucleotide-binding oligomerization domain-containing protein 1 | IC50 | = | 27800.0 | nM | 4.56 | Antagonist activity at human NOD1 expressed in HEK293 cells assessed as reductio... | 32014680 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32014680 | 10.1016/j.ejmech.2020.112089 | HEK293 | 2 |
| 32014680 | 10.1016/j.ejmech.2020.112089 | Nucleotide-binding oligomerization domain-containing protein 1 | 2 |
| 32014680 | 10.1016/j.ejmech.2020.112089 | Nucleotide-binding oligomerization domain-containing protein 2 | 2 |
Data from ChEMBL 36 via Core Engine