Compound Detail
CHEMBL2004847
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Basic Information
| ChEMBL ID | CHEMBL2004847 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JBJXFVMXTOQXQK-WBTNUNKFSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
301.3
MW (Da)
3.00
ALogP
6
HBA
2
HBD
118.0
PSA (Ų)
0.48
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.52 | 4.385 | 30019.0 | 2 |
| Beta-galactosidase CHEMBL1293264 | IC50 | 4.48 | 4.48 | 33000.0 | 1 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.45 | 4.45 | 35800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 30019.0 | nM | 4.52 | PUBCHEM_BIOASSAY: Absorbance-based bacterial cell-based high throughput dose res... | - |
| Beta-galactosidase | IC50 | = | 33000.0 | nM | 4.48 | PUBCHEM_BIOASSAY: HTS Dose response counterscreen for assays utilizing the enzym... | - |
| C-C chemokine receptor type 6 | IC50 | = | 35800.0 | nM | 4.45 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
| Unchecked | IC50 | = | 55530.0 | nM | 4.25 | PUBCHEM_BIOASSAY: Counterscreen for AddAB inhibitors: absorbance-based bacterial... | - |
Data from ChEMBL 36 via Core Engine