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 |