Compound Detail
CHEMBL1522033
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Basic Information
| ChEMBL ID | CHEMBL1522033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLWCCEKHQIYEHU-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
333.3
MW (Da)
2.94
ALogP
5
HBA
0
HBD
93.4
PSA (Ų)
0.42
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.7
EC50 2 meas. best 5.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.7 | 5.7 | 2020.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.44 | 5.23 | 3666.0 | 2 |
| Beta-galactosidase CHEMBL1293264 | IC50 | 4.78 | 4.78 | 16800.0 | 1 |
| C-C chemokine receptor type 6 CHEMBL4423 | IC50 | 4.66 | 4.66 | 21800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2020.0 | nM | 5.7 | PUBCHEM_BIOASSAY: High Throughput Screen to Identify Inhibitors of Mycobacterium... | - |
| Unchecked | EC50 | = | 3666.0 | nM | 5.44 | PUBCHEM_BIOASSAY: Luminescence Cell-Based/Microorganism Dose Confirmation HTS to... | - |
| Unchecked | EC50 | = | 9496.0 | nM | 5.02 | PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Response HTS Screen to Identify C... | - |
| Beta-galactosidase | IC50 | = | 16800.0 | nM | 4.78 | PUBCHEM_BIOASSAY: HTS Dose response counterscreen for assays utilizing the enzym... | - |
| C-C chemokine receptor type 6 | IC50 | = | 21800.0 | nM | 4.66 | PUBCHEM_BIOASSAY: Dose Response confirmation of small molecule antagonists of th... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21075637 | 10.1016/j.bmc.2010.10.036 | Staphylococcus aureus | 4 |
| 30523084 | 10.1126/science.aat9446 | Plasmodium berghei | 4 |
| 30523084 | 10.1126/science.aat9446 | HepG2-CD81 | 2 |
| 21075637 | 10.1016/j.bmc.2010.10.036 | Stenotrophomonas maltophilia | 1 |
| 21075637 | 10.1016/j.bmc.2010.10.036 | Serratia marcescens | 1 |
| 21075637 | 10.1016/j.bmc.2010.10.036 | Mycolicibacterium smegmatis | 1 |
| 21075637 | 10.1016/j.bmc.2010.10.036 | Bacillus subtilis | 1 |
| 21075637 | 10.1016/j.bmc.2010.10.036 | Escherichia coli | 1 |
| 21075637 | 10.1016/j.bmc.2010.10.036 | Pseudomonas aeruginosa | 1 |
| 21075637 | 10.1016/j.bmc.2010.10.036 | Acinetobacter baumannii | 1 |
Data from ChEMBL 36 via Core Engine