| Trade Names: | |
| Synonyms: | |
| Status: | Approved (2008) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | C08CA16 |
| UNII: | 19O2GP3B7Q |
| InChI Key | KPBZROQVTHLCDU-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
| Property Name | Value |
|---|---|
| Molecular Formula | C21H23Cl2NO6 |
| Molecular Weight | 456.32 |
| AlogP | 4.25 |
| Hydrogen Bond Acceptor | 7.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 7.0 |
| Polar Surface Area | 90.93 |
| Molecular species | NEUTRAL |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 30.0 |
| Action | Mechanism of Action | Reference |
|---|---|---|
| BLOCKER | Voltage-gated L-type calcium channel blocker | DailyMed |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Ion channel
Voltage-gated ion channel
Voltage-gated calcium channel
|
- | 7-79 | - | - | - | |
|
Transporter
Primary active transporter
ATP-binding cassette
ABCB subfamily
|
- | 36350 | - | - | - |
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Hypertension | 3 | D006973 | ClinicalTrials |
| Hypertension, Malignant | 3 | D006974 | ClinicalTrials |
| Scoliosis | 2 | D012600 | ClinicalTrials |
| Vascular Diseases | 0 | D014652 | ClinicalTrials |
| Side effects | Relative Frequency (%) | Labels | |
|---|---|---|---|
| Cardiac disorders Atrial fibrillation | 21.3 | ||
| Gastrointestinal disorders Nausea | 21.3 | ||
| Cardiac disorders Atrial fibrillation | 12.2 | ||
| Gastrointestinal disorders Nausea | 12.2 | ||
| Renal failure acute | 9.43 | ||
| Nervous system disorders Headache | 6.3 | ||
| Gastrointestinal disorders Nausea | 4.8 | ||
| Gastrointestinal disorders Vomiting | 3.2 | ||
| Renal failure acute | 1.96 |
| Resources | Reference |
|---|---|
| CAS NUMBER | 167221-71-8 |
| ChEBI | 135738 |
| ChEMBL | CHEMBL1237132 |
| DrugBank | DB04920 |
| DrugCentral | 674 |
| EPA CompTox | DTXSID6057661 |
| FDA SRS | 19O2GP3B7Q |
| Guide to Pharmacology | 7468 |
| PubChem | 153994 |
| SureChEMBL | SCHEMBL115522 |