Compound Detail
CHEMBL5874160
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O=C(CN1[C@@H]2CC[C@H]1C[C@H](CNC(=O)C13CC4CC(CC(C4)C1)C3)C2)NC1(CO)CCCC1
Basic Information
| ChEMBL ID | CHEMBL5874160 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KROAWCRGKUTURU-MTOYBEEOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
457.7
MW (Da)
2.98
ALogP
4
HBA
3
HBD
81.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent T-type calcium channel subunit alpha-1H CHEMBL1859 | IC50 | 7.03 | 7.03 | 94.0 | 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 | = | 94.0 | nM | 7.03 | Activity Assay: The HEK293 cells having human Cav3.2 stably expressed therein we... | - |
Data from ChEMBL 36 via Core Engine