Compound Detail
CHEMBL1801205
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Basic Information
| ChEMBL ID | CHEMBL1801205 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MFCDBQIDJOCFDS-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
2.90
ALogP
6
HBA
0
HBD
56.1
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent calcium channel subunit alpha-2/delta-1 CHEMBL1919 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Voltage-dependent calcium channel subunit alpha-2/delta-2 CHEMBL3896 | IC50 | 6.8 | 6.8 | 158.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-dependent calcium channel subunit alpha-2/delta-1 | IC50 | = | 7.0 | nM | 8.15 | Binding affinity at voltage-gated calcium channel subunit alpha2delta1 | 20566291 |
| Voltage-dependent calcium channel subunit alpha-2/delta-2 | IC50 | = | 158.0 | nM | 6.8 | Binding affinity at voltage-gated calcium channel subunit alpha2delta2 | 20566291 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20566291 | 10.1016/j.bmcl.2010.05.026 | Voltage-dependent calcium channel subunit alpha-2/delta-1 | 1 |
| 20566291 | 10.1016/j.bmcl.2010.05.026 | Voltage-dependent calcium channel subunit alpha-2/delta-2 | 1 |
Data from ChEMBL 36 via Core Engine