Compound Detail
CHEMBL3919024
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COc1ccc(-c2cc(OC3CC(C)(C)S(=O)(=O)C(C)(C)C3)nn2-c2ccccc2OC)cc1
Basic Information
| ChEMBL ID | CHEMBL3919024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TYXGRJPOMQEXJV-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
484.6
MW (Da)
5.07
ALogP
7
HBA
0
HBD
79.7
PSA (Ų)
0.49
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated calcium channel CHEMBL2363032 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated calcium channel | IC50 | = | 3.0 | nM | 8.52 | Functional Drug Screening System (FDSS): Calcium mobilization responses to KCl d... | - |
Data from ChEMBL 36 via Core Engine