Compound Detail
CHEMBL3188921
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COC(=O)C(C(=O)OC)[C@H]1C=C[C@@H](C(=O)NS(=O)(=O)c2ccc(C)cc2)N(C(C)=O)C1
Basic Information
| ChEMBL ID | CHEMBL3188921 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HBKUTRXJNHFYCR-HOCLYGCPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
452.5
MW (Da)
0.17
ALogP
8
HBA
1
HBD
136.2
PSA (Ų)
0.37
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 CHEMBL3964 | IC50 | 5.69 | 5.69 | 2026.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| 1-phosphatidylinositol 4,5-bisphosphate phosphodiesterase gamma-1 | IC50 | = | 2026.0 | nM | 5.69 | PubChem BioAssay. Counterscreen for inhibitors of phospholipase C isozymes (PLC-... | - |
Data from ChEMBL 36 via Core Engine