Compound Detail
CHEMBL1533772
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Basic Information
| ChEMBL ID | CHEMBL1533772 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PEYAYDLYYOQRKF-CMDGGOBGSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
349.4
MW (Da)
4.80
ALogP
6
HBA
0
HBD
85.0
PSA (Ų)
0.49
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.37
IC50 2 meas. best 4.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.37 | 5.5033 | 427.0 | 3 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.42 | 4.42 | 37600.0 | 1 |
| Beta-galactosidase CHEMBL1293264 | IC50 | 4.39 | 4.39 | 41000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 427.0 | nM | 6.37 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 3870.0 | nM | 5.41 | PUBCHEM_BIOASSAY: Counterscreen for Fluorescence in GFP-Spectra Wavelengths Caus... | - |
| Unchecked | EC50 | = | 18451.0 | nM | 4.73 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| C-C chemokine receptor type 6 | IC50 | = | 37600.0 | nM | 4.42 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
| Beta-galactosidase | IC50 | = | 41000.0 | nM | 4.39 | PUBCHEM_BIOASSAY: HTS Dose response counterscreen for assays utilizing the enzym... | - |
Data from ChEMBL 36 via Core Engine