Compound Detail
CHEMBL5804453
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COC1=CC2C(C(=O)NC[C@@H]3C[C@H]4CC[C@@H](C3)N4CC(=O)NC(C)(C)C)=C(C)OC2C=C1
Basic Information
| ChEMBL ID | CHEMBL5804453 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ITTKLNVNTHILAD-DBKPMDMOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
2.65
ALogP
5
HBA
2
HBD
79.9
PSA (Ų)
0.66
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent T-type calcium channel subunit alpha-1H CHEMBL1859 | IC50 | 7.04 | 7.04 | 91.0 | 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 | = | 91.0 | nM | 7.04 | Activity Assay: The HEK293 cells having human Cav3.2 stably expressed therein we... | - |
Data from ChEMBL 36 via Core Engine