Compound Detail
CHEMBL88034
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Basic Information
| ChEMBL ID | CHEMBL88034 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AYXYPKUFHZROOJ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
159.2
MW (Da)
1.08
ALogP
2
HBA
2
HBD
63.3
PSA (Ų)
0.63
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1C/L-type calcium channel subunit beta-3/calcium channel subunit alpha-2/delta-1 CHEMBL6066567 | IC50 | 7.64 | 7.64 | 23.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.08 | 7.08 | 83.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1C/L-type calcium channel subunit beta-3/calcium channel subunit alpha-2/delta-1 | IC50 | = | 23.0 | nM | 7.64 | Binding Assay: This section describes a scintillation proximity assay (SPA) to m... | - |
| Unchecked | IC50 | = | 83.0 | nM | 7.08 | In vitro inhibition of [3H]-gabapentin binding to partially purified rat neocort... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80855-6 | Unchecked | 11 |
| 2067001 | 10.1021/jm00111a053 | Unchecked | 4 |
| 9873588 | 10.1016/s0960-894x(98)00465-x | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine