Compound Detail
CHEMBL3918151
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O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL3918151 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYFKRZOKZSCEKS-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
596.6
MW (Da)
8.18
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.20
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent N-type calcium channel subunit alpha-1B CHEMBL5107 | IC50 | 6.35 | 6.305 | 450.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-dependent N-type calcium channel subunit alpha-1B | IC50 | = | 450.0 | nM | 6.35 | Antagonist activity at rat alpha1B N-type Ca2+ channel expressed in HEK293 cells... | - |
| Voltage-dependent N-type calcium channel subunit alpha-1B | IC50 | = | 550.0 | nM | 6.26 | Antagonist activity at rat alpha1B N-type calcium channel expressed in HEK293 ce... | - |
Data from ChEMBL 36 via Core Engine