Compound Detail
CHEMBL173168
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Basic Information
| ChEMBL ID | CHEMBL173168 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KZYDERWDJDKROE-HMMYKYKNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
400.4
MW (Da)
4.21
ALogP
7
HBA
1
HBD
94.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.57 | 5.57 | 2710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2710.0 | nM | 5.57 | 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 |
Data from ChEMBL 36 via Core Engine