Compound Detail
CHEMBL2237950
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CC1=C(C(=O)OCCc2ccccc2)C(c2nc[nH]c2Cl)C(C(=O)OCCc2ccccc2)=C(C)N1
Basic Information
| ChEMBL ID | CHEMBL2237950 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBKGBQCHDLHFDD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
506.0
MW (Da)
4.87
ALogP
6
HBA
2
HBD
93.3
PSA (Ų)
0.40
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL2366456 | IC50 | 9.74 | 9.74 | 0.2 | 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 | = | 0.182 | nM | 9.74 | Inhibition of L-type calcium channel in Cavia porcellus (guinea pig) ileal SMC a... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1007/s00044-011-9904-x | Mus musculus | 1 |
| - | 10.1007/s00044-010-9515-y | Voltage-dependent L-type calcium channel subunit alpha-1C | 1 |
Data from ChEMBL 36 via Core Engine