Compound Detail
CHEMBL1700643
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Basic Information
| ChEMBL ID | CHEMBL1700643 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZLAZHLMSZCPEY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
257.7
MW (Da)
3.32
ALogP
3
HBA
1
HBD
43.8
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Tumor necrosis factor CHEMBL1825 | IC50 | 4.9 | 4.9 | 12500.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | IC50 | 4.89 | 4.89 | 12900.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | IC50 | 4.82 | 4.82 | 15300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Tumor necrosis factor | IC50 | = | 12500.0 | nM | 4.9 | PUBCHEM_BIOASSAY: SAR analysis of inhibitors of TNFa specific NF-kB induction re... | - |
| Nucleotide-binding oligomerization domain-containing protein 1 | IC50 | = | 12900.0 | nM | 4.89 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD1 revised. (Class of... | - |
| Nucleotide-binding oligomerization domain-containing protein 2 | IC50 | = | 15300.0 | nM | 4.82 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD2 revised. (Class of... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1271/bbb.56.199 | Botrytis cinerea | 1 |
| - | 10.1271/bbb.56.199 | Agrobacterium sp. | 1 |
| - | 10.1271/bbb.56.199 | Pseudomonas viridiflava | 1 |
| - | 10.1271/bbb.56.199 | Pseudomonas savastanoi pv. glycinea | 1 |
| - | 10.1271/bbb.56.199 | Pseudomonas savastanoi pv. phaseolicola | 1 |
| - | 10.1271/bbb.56.199 | Xanthomonas campestris pv. campestris | 1 |
| - | 10.1271/bbb.56.199 | Xanthomonas phaseoli pv. phaseoli | 1 |
| - | 10.1271/bbb.56.199 | Xanthomonas euvesicatoria | 1 |
Data from ChEMBL 36 via Core Engine