Compound Detail
CHEMBL164658
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Basic Information
| ChEMBL ID | CHEMBL164658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RFCLYLMBLLXTIE-YADHBBJMSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
413.0
MW (Da)
4.78
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.61
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Kd 1 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Oryctolagus cuniculus CHEMBL374 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | Kd | 5.3 | 5.3 | 5040.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Oryctolagus cuniculus | IC50 | = | 160.0 | nM | 6.8 | In vitro evaluation for the vasorelaxant effects in circumferential strips of po... | 1542103 |
| NON-PROTEIN TARGET | Kd | = | 5040.0 | nM | 5.3 | In vitro inhibition [3H]diltiazem binding to calcium channels in isolated guinea... | 1542103 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1542103 | 10.1021/jm00082a019 | NON-PROTEIN TARGET | 4 |
| 1542103 | 10.1021/jm00082a019 | Oryctolagus cuniculus | 1 |
Data from ChEMBL 36 via Core Engine