Compound Detail
CHEMBL2261188
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CCc1nc(Cl)c(C2C(C(=O)OC3CCCCC3)=C(C)NC(C)=C2C(=O)OC2CCCCC2)[nH]1
Basic Information
| ChEMBL ID | CHEMBL2261188 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GCUHVGJLOATSCT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
490.0
MW (Da)
5.61
ALogP
6
HBA
2
HBD
93.3
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.88
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL2366456 | IC50 | 9.88 | 9.88 | 0.1 | 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 | IC50 | = | 0.1321 | nM | 9.88 | Inhibition of calcium channel in Cavia porcellus (guinea pig) ileum assessed as ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-009-9171-2 | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
Data from ChEMBL 36 via Core Engine