Compound Detail
CHEMBL1733564
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Basic Information
| ChEMBL ID | CHEMBL1733564 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBHPJBOSCFRQFT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
258.2
MW (Da)
2.14
ALogP
6
HBA
2
HBD
100.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
| Beta-galactosidase CHEMBL1293264 | IC50 | 4.34 | 4.34 | 46000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| C-C chemokine receptor type 6 | IC50 | = | 30000.0 | nM | 4.52 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
| Beta-galactosidase | IC50 | = | 46000.0 | nM | 4.34 | PUBCHEM_BIOASSAY: HTS Dose response counterscreen for assays utilizing the enzym... | - |
Data from ChEMBL 36 via Core Engine