Compound Detail
CHEMBL74944
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Basic Information
| ChEMBL ID | CHEMBL74944 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KNZXTLGWVGHSPA-SAPNQHFASA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
348.4
MW (Da)
3.49
ALogP
7
HBA
1
HBD
94.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.57
IC50 1 meas. best 5.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Voltage-dependent L-type calcium channel subunit alpha-1C CHEMBL1940 | Ki | 7.57 | 7.57 | 27.1 | 1 |
| Voltage-gated L-type calcium channel CHEMBL2095229 | Ki | 7.48 | 7.48 | 32.8 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.09 | 5.09 | 8100.0 | 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 | Ki | = | 27.1 | nM | 7.57 | Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig heart membr... | 2142737 |
| Voltage-gated L-type calcium channel | Ki | = | 32.8 | nM | 7.48 | Inhibition of [3H]PN-200110 binding to Calcium channel in guinea pig ileum membr... | 2142737 |
| Unchecked | IC50 | = | 8100.0 | nM | 5.09 | Inhibition of L-type calcium channel subunits alpha1C, beta1b, and alpha2-delta ... | 12502362 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12502362 | 10.1021/jm020354w | Unchecked | 3 |
| 2142737 | 10.1021/jm00170a032 | Voltage-dependent L-type calcium channel subunit alpha-1C | 2 |
| 2142737 | 10.1021/jm00170a032 | Voltage-gated L-type calcium channel | 2 |
Data from ChEMBL 36 via Core Engine