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sitaxentan 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| endothelin receptor antagonists | 3548 | 210421-74-2 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
endothelin A receptor antagonist
|
Drug dosage:
| Dose | Unit | Route |
|---|---|---|
| 0.10 | g | O |
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| S (Water solubility) | 0.40 mg/mL | Bocci G, Oprea TI, Benet LZ |
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 1 | Bocci G, Oprea TI, Benet LZ |
| BA (Bioavailability) | 85 % |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 0.575 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 32.063 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 66.834 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 5.321 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 0.200 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 0.360 | % | High | 1 |
| herg | hERG pIC50 | 4.383 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 93.756 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 346.737 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 0.260 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,GRK2,GSK3B,ITK,JAK2,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TTK,ZAP70 | 44 | |||
| kinase-selectivity-class | AXL,BRAF,DDR1,EIF2AK3,EPHB4,ERBB2,GRK2,MAP2K6,MAPK7,PDK4,PIK3CB,PRKDC,TEK | 13 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 18.535 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 9.528 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 0.150 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 2.851 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 0.070 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 87.096 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 28.430 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 0.150 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 1025.652 | uM | High | 1 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Aug. 10, 2006 | EMA | Pfizer Ltd |
FDA Adverse Event Reporting System (Female)
None
FDA Adverse Event Reporting System (Male)
None
FDA Adverse Event Reporting System (Geriatric)
None
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
| Source | Code | Description |
|---|---|---|
| ATC | C02KX03 | CARDIOVASCULAR SYSTEM ANTIHYPERTENSIVES OTHER ANTIHYPERTENSIVES Antihypertensives for pulmonary arterial hypertension |
| MeSH PA | D065128 | Endothelin Receptor Antagonists |
| CHEBI has role | CHEBI:35674 | antihypertensive agent |
| CHEBI has role | CHEBI:65023 | anti-asthmatic agent |
| CHEBI has role | CHEBI:76595 | nephroprotective agent |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
Related Drugs by ATC class:
C02KX Antihypertensives for pulmonary arterial hypertension 6 drugs
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Pulmonary arterial hypertension | indication | 11399002 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.66 | acidic |
Orange Book patent data (new drug applications)
None
Orange Book exclusivity data (new drug applications)
None
Bioactivity Summary:
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Endothelin-1 receptor | GPCR | ANTAGONIST | Ki | 9.37 | CHEMBL | IUPHAR | |||
| Endothelin B receptor | GPCR | ANTAGONIST | IC50 | 5.01 | CHEMBL | ||||
| Endothelin-1 receptor | GPCR | ANTAGONIST | Ki | 9.37 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| D07171 | KEGG_DRUG |
| 184036-34-8 | SECONDARY_CAS_RN |
| CHEBI:135736 | CHEBI |
| CHEMBL282724 | ChEMBL_ID |
| CHEMBL2105740 | ChEMBL_ID |
| 7952 | INN_ID |
| DB06268 | DRUGBANK_ID |
| J9QH779MEM | UNII |
| 012019 | NDDF |
| 012042 | NDDF |
| 428709002 | SNOMEDCT_US |
| 428712004 | SNOMEDCT_US |
| 428790008 | SNOMEDCT_US |
| C1704271 | UMLSCUI |
| 216235 | PUBCHEM_CID |
| 3950 | IUPHAR_LIGAND_ID |
| C106276 | MESH_SUPPLEMENTAL_RECORD_UI |
| J9QH779MEM | INXIGHT DRUGS |
Pharmaceutical products:
None