Compound Detail
CHEMBL1603938
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Basic Information
| ChEMBL ID | CHEMBL1603938 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBEGFOHXDVZSGV-SDXDJHTJSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
393.5
MW (Da)
4.31
ALogP
6
HBA
2
HBD
99.0
PSA (Ų)
0.28
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.51 | 5.51 | 3094.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | IC50 | 5.38 | 5.38 | 4210.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 1 CHEMBL1293222 | IC50 | 5.34 | 5.34 | 4550.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.31 | 5.31 | 4925.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 3094.0 | nM | 5.51 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Nucleotide-binding oligomerization domain-containing protein 2 | IC50 | = | 4210.0 | nM | 5.38 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD2 - Set 2. (Class of... | - |
| Nucleotide-binding oligomerization domain-containing protein 1 | IC50 | = | 4550.0 | nM | 5.34 | PUBCHEM_BIOASSAY: SAR analysis of compounds that inhibit NOD1 - Set 2. (Class of... | - |
| HEK293 | IC50 | = | 4925.0 | nM | 5.31 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
Data from ChEMBL 36 via Core Engine