Compound Detail
CHEMBL140382
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Basic Information
| ChEMBL ID | CHEMBL140382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VINJFCHLENRFGN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
299.3
MW (Da)
4.99
ALogP
3
HBA
0
HBD
39.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 4.68 | 4.675 | 20700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 20700.0 | nM | 4.68 | 50% inhibition against mast cell degranulation by measuring the content of beta-... | 12361395 |
| Rattus norvegicus | IC50 | = | 21500.0 | nM | 4.67 | Inhibitory activity against mast cell degranulation by measuring the content of ... | 12361395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12361395 | 10.1021/jm020102v | Rattus norvegicus | 6 |
| 12361395 | 10.1021/jm020102v | RAW264.7 | 2 |
| 12361395 | 10.1021/jm020102v | N9 | 2 |
Data from ChEMBL 36 via Core Engine