Compound Detail
CHEMBL3939633
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(CC(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccc3c(c2)OCO3)CC1
Basic Information
| ChEMBL ID | CHEMBL3939633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FESWQOXGVPQZNU-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
5.87
ALogP
4
HBA
0
HBD
42.0
PSA (Ų)
0.32
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.86
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent N-type calcium channel subunit alpha-1B CHEMBL5107 | IC50 | 6.86 | 6.765 | 137.0 | 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 | = | 137.0 | nM | 6.86 | Antagonist activity at rat alpha1B N-type Ca2+ channel expressed in HEK293 cells... | - |
| Voltage-dependent N-type calcium channel subunit alpha-1B | IC50 | = | 213.0 | nM | 6.67 | Antagonist activity at rat alpha1B N-type calcium channel expressed in HEK293 ce... | - |
Data from ChEMBL 36 via Core Engine