Compound Detail
CHEMBL1400385
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Basic Information
| ChEMBL ID | CHEMBL1400385 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FTOXJSMDKHMORW-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
410.4
MW (Da)
3.53
ALogP
5
HBA
2
HBD
101.6
PSA (Ų)
0.61
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.3
EC50 2 meas. best 5.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein CHEMBL3885546 | IC50 | 6.3 | 6.3 | 506.0 | 1 |
| HEK293 CHEMBL614818 | EC50 | 5.63 | 5.63 | 2340.0 | 1 |
| Nucleotide-binding oligomerization domain-containing protein 2 CHEMBL1293266 | EC50 | 5.21 | 5.21 | 6090.0 | 1 |
| HEK293 CHEMBL614818 | IC50 | 5.12 | 5.005 | 7555.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Corticotropin-releasing factor receptor 2/Corticotropin-releasing factor-binding protein | IC50 | = | 506.0 | nM | 6.3 | PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS hits for small molecule ant... | - |
| HEK293 | EC50 | = | 2340.0 | nM | 5.63 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| Nucleotide-binding oligomerization domain-containing protein 2 | EC50 | = | 6090.0 | nM | 5.21 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 7555.0 | nM | 5.12 | PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds th... | - |
| HEK293 | IC50 | = | 12909.5 | nM | 4.89 | PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TN... | - |
Data from ChEMBL 36 via Core Engine