Compound Detail
CHEMBL3930176
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
COc1ccc(C(c2ccc(C(F)(F)F)cc2)N2CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL3930176 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDBMKSCBAFSILW-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
558.6
MW (Da)
7.17
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.23
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent N-type calcium channel subunit alpha-1B CHEMBL5107 | IC50 | 6.96 | 6.75 | 111.0 | 2 |
| Voltage-dependent N-type calcium channel alpha1B/alpha2b/beta1b CHEMBL3988639 | IC50 | 6.73 | 6.73 | 185.0 | 1 |
| Voltage-dependent P/Q-type calcium channel alpha1A/alpha2delta/beta1b CHEMBL3988640 | IC50 | 5.12 | 5.12 | 7590.0 | 1 |
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 | = | 111.0 | nM | 6.96 | Antagonist activity at rat alpha1B N-type Ca2+ channel expressed in HEK293 cells... | - |
| Voltage-dependent N-type calcium channel alpha1B/alpha2b/beta1b | IC50 | = | 185.0 | nM | 6.73 | Antagonist activity at rat brain alpha1B/alpha2b/beta1b N-type calcium channel e... | - |
| Voltage-dependent N-type calcium channel subunit alpha-1B | IC50 | = | 291.0 | nM | 6.54 | Antagonist activity at rat alpha1B N-type calcium channel expressed in HEK293 ce... | - |
| Voltage-dependent P/Q-type calcium channel alpha1A/alpha2delta/beta1b | IC50 | = | 7590.0 | nM | 5.12 | Antagonist activity at alpha1A/alpha2delta/beta1b P/Q-type calcium channel (unkn... | - |
Data from ChEMBL 36 via Core Engine