Compound Detail
CHEMBL1682930
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Basic Information
| ChEMBL ID | CHEMBL1682930 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RMLMLEMGHAUXDM-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
254.2
MW (Da)
2.62
ALogP
3
HBA
2
HBD
83.0
PSA (Ų)
0.69
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.6
IC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 6.6 | 6.6 | 250.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 250.0 | nM | 6.6 | Antiinflammatory activity against mouse RAW246.7 cells assessed as inhibition of... | 21316977 |
| NON-PROTEIN TARGET | IC50 | = | 30000.0 | nM | 4.52 | Antiinflammatory activity against human neutrophil assessed as inhibition of N-f... | 21316977 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21316977 | 10.1016/j.bmc.2011.01.034 | NON-PROTEIN TARGET | 5 |
| 21316977 | 10.1016/j.bmc.2011.01.034 | RAW264.7 | 3 |
| 21316977 | 10.1016/j.bmc.2011.01.034 | KB | 1 |
| 21316977 | 10.1016/j.bmc.2011.01.034 | A549 | 1 |
| 21316977 | 10.1016/j.bmc.2011.01.034 | DU-145 | 1 |
| 21316977 | 10.1016/j.bmc.2011.01.034 | ADMET | 1 |
| 36786551 | 10.1021/acs.jmedchem.2c01115 | MDA-MB-231 | 1 |
| 36786551 | 10.1021/acs.jmedchem.2c01115 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine