Compound Detail
CHEMBL4465483
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Basic Information
| ChEMBL ID | CHEMBL4465483 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ALPPTKFCNACMCN-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
312.5
MW (Da)
3.61
ALogP
3
HBA
0
HBD
15.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RBL-2H3 CHEMBL614632 | IC50 | 6.82 | 6.5367 | 153.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RBL-2H3 | IC50 | = | 153.0 | nM | 6.82 | Antiallergic activity in rat RBL2H3 cells assessed as inhibition of C48/80-induc... | 31703894 |
| RBL-2H3 | IC50 | = | 289.0 | nM | 6.54 | Antiallergic activity in rat RBL2H3 cells assessed as inhibition of C48/80-induc... | 31703894 |
| RBL-2H3 | IC50 | = | 561.0 | nM | 6.25 | Antiallergic activity in IgE/Ag-stimulated rat RBL2H3 cells assessed as inhibiti... | 31703894 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31703894 | 10.1016/j.bmc.2019.115127 | RBL-2H3 | 3 |
| 31703894 | 10.1016/j.bmc.2019.115127 | No relevant target | 2 |
Data from ChEMBL 36 via Core Engine