Compound Detail
CHEMBL18988
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Basic Information
| ChEMBL ID | CHEMBL18988 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KINZMPRXMDYDFD-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
408.6
MW (Da)
5.58
ALogP
5
HBA
1
HBD
35.4
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.83
Ki 1 meas. best 8.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel CHEMBL2095177 | Ki | 8.26 | 8.26 | 5.5 | 1 |
| Voltage-gated L-type calcium channel CHEMBL2095177 | IC50 | 7.83 | 7.83 | 14.8 | 1 |
| Voltage-dependent L-type calcium channel subunit alpha-1D CHEMBL4132 | IC50 | 7.82 | 7.82 | 15.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Voltage-gated L-type calcium channel | Ki | = | 5.55 | nM | 8.26 | Displacement of [3H]nitrendipine from calcium channel receptor | - |
| Voltage-gated L-type calcium channel | IC50 | = | 14.8 | nM | 7.83 | Displacement of [3H]nitrendipine from calcium channel receptor | - |
| Voltage-dependent L-type calcium channel subunit alpha-1D | IC50 | = | 15.14 | nM | 7.82 | Inhibition of [3H]nitrendipine binding to L-type [Ca2+] channel in rat cortex ho... | 9016337 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80212-7 | Voltage-gated L-type calcium channel | 2 |
| 9016337 | 10.1021/jm9605647 | Voltage-dependent L-type calcium channel subunit alpha-1D | 1 |
Data from ChEMBL 36 via Core Engine