Compound Detail
CHEMBL1958056
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Basic Information
| ChEMBL ID | CHEMBL1958056 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWHWLMNMGLICQZ-HOYKHHGWSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
409.5
MW (Da)
4.04
ALogP
6
HBA
1
HBD
60.4
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.21 | 6.11 | 610.0 | 2 |
| RAW264.7 CHEMBL612557 | IC50 | 6.09 | 6.01 | 817.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 610.0 | nM | 6.21 | Antiinflammatory activity against BALB/c mouse splenocytes assessed as inhibitio... | 25221661 |
| RAW264.7 | IC50 | = | 817.0 | nM | 6.09 | Antiinflammatory activity against mouse RAW264.7 cells assessed as inhibition of... | 25221661 |
| NON-PROTEIN TARGET | IC50 | = | 965.0 | nM | 6.01 | Antiinflammatory activity against BALB/c mouse splenocytes assessed as inhibitio... | 25221661 |
| RAW264.7 | IC50 | = | 1164.0 | nM | 5.93 | Cytotoxicity against mouse RAW264.7 cells after 48 hrs by MTT assay | 25221661 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22417638 | 10.1016/j.ejmech.2012.02.048 | A549 | 3 |
| 22417638 | 10.1016/j.ejmech.2012.02.048 | HL-60 | 3 |
| 25221661 | 10.1021/ml500255j | RAW264.7 | 2 |
| 25221661 | 10.1021/ml500255j | NON-PROTEIN TARGET | 2 |
| 25221661 | 10.1021/ml500255j | T-cell | 1 |
Data from ChEMBL 36 via Core Engine