Compound Detail
CHEMBL2236650
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Basic Information
| ChEMBL ID | CHEMBL2236650 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OLBVWHWSOQKFOA-FNORWQNLSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
258.3
MW (Da)
3.19
ALogP
4
HBA
0
HBD
48.7
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 4.8 | 4.795 | 15848.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 15848.93 | nM | 4.8 | Anti-inflammatory activity in Mus musculus (mouse) RAW264.7 cells assessed as in... | - |
| RAW264.7 | IC50 | = | 16020.0 | nM | 4.79 | Anti-inflammatory activity in Mus musculus (mouse) RAW264.7 cells assessed as in... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9706-1 | RAW264.7 | 2 |
| - | 10.1007/s00044-012-0401-7 | Staphylococcus aureus | 2 |
| - | 10.1007/s00044-011-9733-y | Candida albicans | 1 |
| - | 10.1007/s00044-011-9733-y | Aspergillus niger | 1 |
| - | 10.1007/s00044-011-9733-y | Pseudomonas aeruginosa | 1 |
| - | 10.1007/s00044-011-9733-y | Salmonella typhi | 1 |
| - | 10.1007/s00044-011-9733-y | Escherichia coli | 1 |
| - | 10.1007/s00044-011-9733-y | Staphylococcus aureus | 1 |
| - | 10.1007/s00044-011-9733-y | Bacillus subtilis | 1 |
| - | 10.1007/s00044-011-9733-y | HEp-2 | 1 |
| - | 10.1007/s00044-011-9733-y | IMR-32 | 1 |
| - | 10.1007/s00044-011-9733-y | OVCAR | 1 |
| - | 10.1007/s00044-011-9733-y | PC-3 | 1 |
| - | 10.1007/s00044-012-0401-7 | Radical scavenging activity | 1 |
| - | 10.1007/s00044-012-0401-7 | Rattus norvegicus | 1 |
Data from ChEMBL 36 via Core Engine