| Trade Names: | |
| Synonyms: | |
| Status: | Approved (1957) |
| Entry Type: | Small molecule |
| Molecule Category: | Parent |
| ATC: | L01AA02 |
| UNII: | 18D0SL7309 |
Structure
| InChI Key | JCKYGMPEJWAADB-UHFFFAOYSA-N |
|---|---|
| Smile | |
| InChI |
|
Physicochemical Descriptors
| Property Name | Value |
|---|---|
| Molecular Formula | C14H19Cl2NO2 |
| Molecular Weight | 304.22 |
| AlogP | 3.38 |
| Hydrogen Bond Acceptor | 2.0 |
| Hydrogen Bond Donor | 1.0 |
| Number of Rotational Bond | 9.0 |
| Polar Surface Area | 40.54 |
| Molecular species | ACID |
| Aromatic Rings | 1.0 |
| Heavy Atoms | 19.0 |
Pharmacology
| Action | Mechanism of Action | Reference |
|---|---|---|
| INHIBITOR | DNA inhibitor | ISBN |
| Targets | EC50(nM) | IC50(nM) | Kd(nM) | Ki(nM) | Inhibition(%) | |
|---|---|---|---|---|---|---|
|
Enzyme
Cytochrome P450
Cytochrome P450 family 2
Cytochrome P450 family 2D
Cytochrome P450 2D6
|
- | 65100 | - | - | - | |
|
Enzyme
Oxidoreductase
|
- | - | - | - | 44 | |
|
Enzyme
Protease
Serine protease
Serine protease PA clan
Serine protease S1A subfamily
|
- | - | - | - | 23 | |
|
Transporter
Electrochemical transporter
SLC superfamily of solute carriers
SLC21/SLCO family of organic anion transporting polypeptides
|
- | 80700 | - | 37400 | 66-103 |
Indications
| Mesh Heading | Maximum Phase | Mesh ID | Reference |
|---|---|---|---|
| Lymphoma, B-Cell, Marginal Zone | 3 | D018442 | ClinicalTrials |
| Lymphoma | 3 | D008223 | ClinicalTrials |
| Leukemia, Lymphocytic, Chronic, B-Cell | 3 | D015451 | ClinicalTrials |
| Leukemia | 3 | D007938 | ClinicalTrials |
| Glomerulonephritis, Membranous | 3 | D015433 | ClinicalTrials |
| Stomach Neoplasms | 3 | D013274 | ClinicalTrials |
| Glomerulosclerosis, Focal Segmental | 3 | D005923 | ClinicalTrials |
| Lymphoma, Mantle-Cell | 2 | D020522 | ClinicalTrials |
| Carcinoma, Pancreatic Ductal | 2 | D021441 | ClinicalTrials |
Related Entries
MCS
Side Effects from Label
Side Effects (PT)
| Side effects | Relative Frequency (%) | Labels | |
|---|---|---|---|
| Nervous system disorders Agitation | 1.0 | ||
| Investigations Body temperature increased | 1.0 | ||
| Nervous system disorders Confusional state | 1.0 | ||
| Convulsion | 1.0 | ||
| Gastrointestinal disorders Diarrhoea | 1.0 | ||
| General disorders and administration site conditions Feeling abnormal | 1.0 | ||
| Psychiatric disorders Hallucination | 1.0 | ||
| Hepatobiliary disorders Hepatotoxicity | 1.0 | ||
| Immune system disorders Interstitial lung disease | 1.0 | ||
| Nervous system disorders Neuritis | 1.0 | ||
| Nervous system disorders Peripheral motor neuropathy | 1.0 | ||
| Immune system disorders Toxic epidermal necrolysis | 1.0 |
Adverse Reactions
System Organ Classification (SOC)
Cross References
| Resources | Reference |
|---|---|
| CAS NUMBER | 305-03-3 |
| ChEBI | 28830 |
| ChEMBL | CHEMBL515 |
| DrugBank | DB00291 |
| DrugCentral | 588 |
| EPA CompTox | DTXSID7020263 |
| FDA SRS | 18D0SL7309 |
| Human Metabolome Database | HMDB0014436 |
| Guide to Pharmacology | 7143 |
| KEGG | C06900 |
| PDB | CBL |
| PharmGKB | PA448926 |
| PubChem | 2708 |
| SureChEMBL | SCHEMBL4308 |
| ZINC | ZINC000000001115 |
CONTENTS