Compound Detail
CHEMBL5770974
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COc1cc(C)cc(C(=O)NC[C@@H]2C[C@H]3CC[C@@H](C2)N3CC(=O)NC(C)(C)C)c1
Basic Information
| ChEMBL ID | CHEMBL5770974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VMEKADVMLAGWJE-LUPIEILUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
401.6
MW (Da)
2.89
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent T-type calcium channel subunit alpha-1H CHEMBL1859 | IC50 | 7.26 | 7.26 | 55.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-dependent T-type calcium channel subunit alpha-1H | IC50 | = | 55.0 | nM | 7.26 | Activity Assay: The HEK293 cells having human Cav3.2 stably expressed therein we... | - |
Data from ChEMBL 36 via Core Engine