Compound Detail
CHEMBL4534055
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Basic Information
| ChEMBL ID | CHEMBL4534055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FZEHZZNCMOVKFD-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
307.4
MW (Da)
3.81
ALogP
4
HBA
0
HBD
48.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | IC50 | 4.8 | 4.8 | 16000.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | IC50 | 4.61 | 4.61 | 24600.0 | 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 | = | 16000.0 | nM | 4.8 | Inhibition of human NOD1 over-expressed in HEK-Blue cells assessed as inhibition... | 27601373 |
| Nucleotide-binding oligomerization domain-containing protein 2 | IC50 | = | 24600.0 | nM | 4.61 | Inhibition of human NOD2 over-expressed in HEK-Blue cells assessed as inhibition... | 27601373 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27601373 | 10.1016/j.bmc.2016.08.044 | Nucleotide-binding oligomerization domain-containing protein 1 | 1 |
| 27601373 | 10.1016/j.bmc.2016.08.044 | Nucleotide-binding oligomerization domain-containing protein 2 | 1 |
| 27601373 | 10.1016/j.bmc.2016.08.044 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine