Compound Detail
CHEMBL3982680
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Cl.O=C(O)C1CN(C(c2ccccc2)c2ccccc2)CCN1C(=O)CC(c1ccccc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3982680 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HYQGWLLAKFRPTI-UHFFFAOYSA-N |
| Parent Compound | CHEMBL3915774 |
| Active Moiety | CHEMBL3915774 |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
5.60
ALogP
3
HBA
1
HBD
60.9
PSA (Ų)
0.34
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.45
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent N-type calcium channel alpha1B/alpha2b/beta1b CHEMBL3988639 | IC50 | 6.45 | 6.45 | 359.0 | 1 |
| Voltage-dependent P/Q-type calcium channel alpha1A/alpha2delta/beta1b CHEMBL3988640 | IC50 | 5.47 | 5.47 | 3383.0 | 1 |
| Voltage-dependent L-type calcium channel alpha1C/alpha2delta/beta1b CHEMBL3988638 | IC50 | 4.43 | 4.43 | 37140.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-dependent N-type calcium channel alpha1B/alpha2b/beta1b | IC50 | = | 359.0 | nM | 6.45 | Antagonist activity at rat brain alpha1B/alpha2b/beta1b N-type calcium channel e... | - |
| Voltage-dependent P/Q-type calcium channel alpha1A/alpha2delta/beta1b | IC50 | = | 3383.0 | nM | 5.47 | Antagonist activity at alpha1A/alpha2delta/beta1b P/Q-type calcium channel (unkn... | - |
| Voltage-dependent L-type calcium channel alpha1C/alpha2delta/beta1b | IC50 | = | 37140.0 | nM | 4.43 | Antagonist activity at alpha1C/alpha2delta/beta1b L-type calcium channel (unknow... | - |
Data from ChEMBL 36 via Core Engine