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ketanserin ๐ถ Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| serotonin receptor antagonists (mostly 5-HT2) | 1524 | 74050-98-9 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
A selective serotonin receptor antagonist with weak adrenergic receptor blocking properties. The drug is effective in lowering blood pressure in essential hypertension. It also inhibits platelet aggregation. It is well tolerated and is particularly effective in older patients.
|
Drug dosage:
| Dose | Unit | Route |
|---|---|---|
| 40 | mg | O |
| 40 | mg | P |
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 0.05 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 0.50 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 5.78 ยตM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 50 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 3.90 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 6.70 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.06 % | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 12 hours | Lombardo F, Berellini G, Obach RS |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 2.932 | Moderate | 0.68 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.693 | Moderate | 0.68 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 39.902 | 10^-6 cm/s | Moderate | 0.68 |
| dh-clint | Dog hepatocyte intrinsic clearance | 11.588 | uL/min/10^6 cells | Moderate | 0.68 |
| dppb | Dog plasma protein binding (% unbound) | 10.910 | % | Moderate | 0.68 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 25.090 | % | Moderate | 0.68 |
| herg | hERG pIC50 | 5.686 | pIC50 | Moderate | 0.68 |
| hh-clint | Human hepatocyte intrinsic clearance | 23.605 | uL/min/10^6 cells | Moderate | 0.68 |
| hlm-clint | Human liver microsomal intrinsic clearance | 21.528 | uL/min/mg protein | Moderate | 0.68 |
| hppb | Human plasma protein binding (% unbound) | 7.660 | % | Moderate | 0.68 |
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 1.081 | High | 1 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 2.559 | Moderate | 0.68 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 42.462 | Moderate | 0.68 | |
| mppb | Mouse plasma protein binding (% unbound) | 13.040 | Moderate | 0.68 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 5.728 | Moderate | 0.68 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 17.120 | % | Moderate | 0.68 |
| rat-kpuu-brain | Rat brain Kpuu | 0.252 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 63.387 | uL/min/10^6 cells | Moderate | 0.68 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 61.860 | % | Moderate | 0.68 |
| rppb | Rat plasma protein binding (% unbound) | 7.610 | % | Moderate | 0.68 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 15.276 | uM | Moderate | 0.68 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| Jan. 1, 1985 | YEAR INTRODUCED |
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 | C02KD01 | CARDIOVASCULAR SYSTEM ANTIHYPERTENSIVES OTHER ANTIHYPERTENSIVES Serotonin antagonists |
| MeSH PA | D000959 | Antihypertensive Agents |
| MeSH PA | D002317 | Cardiovascular Agents |
| MeSH PA | D006401 | Hematologic Agents |
| MeSH PA | D010975 | Platelet Aggregation Inhibitors |
| MeSH PA | D012702 | Serotonin Antagonists |
| MeSH PA | D018377 | Neurotransmitter Agents |
| MeSH PA | D018490 | Serotonin Agents |
| CHEBI has role | CHEBI:35554 | cardiovascular drug |
| CHEBI has role | CHEBI:35674 | antihypertensive agent |
| CHEBI has role | CHEBI:37890 | ฮฑ-adrenergic antagonist |
| CHEBI has role | CHEBI:48279 | serotonergic antagonist |
| CHEBI has role | CHEBI:76779 | EC 3.4.21.26 (prolyl oligopeptidase) inhibitor |
| CHEBI has role | CHEBI:231911 | renoprotective agent |
| CHEBI has role | CHEBI:176497 | geroprotector |
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Hypertensive disorder | indication | 38341003 | DOID:10763 |
๐ถ Veterinary Drug Use
None
๐ถ Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 10.58 | acidic |
| pKa2 | 8.02 | Basic |
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 |
|---|---|---|---|---|---|---|---|---|---|
| 5-hydroxytryptamine receptor 1A | GPCR | ANTAGONIST | Ki | 5 | IUPHAR | ||||
| 5-hydroxytryptamine receptor 2B | GPCR | ANTAGONIST | Ki | 6.70 | IUPHAR | ||||
| 5-hydroxytryptamine receptor 2A | GPCR | Ki | 9.70 | CHEMBL | |||||
| D(1A) dopamine receptor | GPCR | ANTAGONIST | Ki | 6.70 | IUPHAR | ||||
| D(2) dopamine receptor | GPCR | Ki | 6.62 | CHEMBL | |||||
| Alpha-2A adrenergic receptor | GPCR | Ki | WOMBAT-PK | ||||||
| Sigma non-opioid intracellular receptor 1 | Membrane receptor | IC50 | 9 | CHEMBL | |||||
| Potassium voltage-gated channel subfamily H member 2 | Ion channel | IC50 | 6.97 | WOMBAT-PK | |||||
| 5-hydroxytryptamine receptor 2C | GPCR | ANTAGONIST | Ki | 7.50 | IUPHAR | ||||
| 5-hydroxytryptamine receptor 6 | GPCR | Ki | 5.55 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 7 | GPCR | ANTAGONIST | Ki | 6.50 | IUPHAR | ||||
| Alpha-1A adrenergic receptor | GPCR | ANTAGONIST | Ki | 8.20 | IUPHAR | ||||
| Alpha-2B adrenergic receptor | GPCR | Ki | 6.70 | PDSP | |||||
| D(1B) dopamine receptor | GPCR | ANTAGONIST | Ki | 5.60 | IUPHAR | ||||
| Histamine H1 receptor | GPCR | Ki | 8.75 | PDSP | |||||
| 5-hydroxytryptamine receptor 1B | GPCR | IC50 | 5.19 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 1D | GPCR | IC50 | 6.59 | CHEMBL | |||||
| Adenosine receptor A3 | GPCR | IC50 | 8.57 | CHEMBL | |||||
| D(4) dopamine receptor | GPCR | Ki | 8.46 | CHEMBL | |||||
| Alpha-1D adrenergic receptor | GPCR | ANTAGONIST | Ki | 7.80 | IUPHAR | ||||
| Alpha-1B adrenergic receptor | GPCR | ANTAGONIST | Ki | 8.20 | IUPHAR | ||||
| 5-hydroxytryptamine receptor 5A | GPCR | ANTAGONIST | Ki | 4.70 | IUPHAR | ||||
| 5-hydroxytryptamine receptor 1F | GPCR | Ki | 8.90 | PDSP | |||||
| Synaptic vesicular amine transporter | Transporter | Ki | 6.16 | WOMBAT-PK | |||||
| Chromaffin granule amine transporter | Transporter | INHIBITOR | Ki | 5.80 | IUPHAR | ||||
| 5-hydroxytryptamine receptor 1B | GPCR | Ki | 5.72 | CHEMBL | |||||
| Histamine H1 receptor | GPCR | Ki | 8 | CHEMBL | |||||
| D(2) dopamine receptor | GPCR | Ki | 6.44 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 1A | GPCR | Ki | 5.74 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 2A | GPCR | Ki | 9.33 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 7 | GPCR | ANTAGONIST | Ki | 6.70 | IUPHAR | ||||
| 5-hydroxytryptamine receptor 7 | GPCR | ANTAGONIST | Ki | 6.40 | IUPHAR | ||||
| 5-hydroxytryptamine receptor 2C | GPCR | Ki | 7.30 | CHEMBL | |||||
| Adrenergic receptor alpha-1 | GPCR | IC50 | 7.82 | CHEMBL | |||||
| Serotonin 2 (5-HT2) receptor | GPCR | Ki | 9.40 | CHEMBL | |||||
| 5-hydroxytryptamine receptor 1B | GPCR | ANTAGONIST | Ki | 8.30 | IUPHAR | ||||
| Synaptic vesicular amine transporter | Transporter | IC50 | 7 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| N0000167209 | NUI |
| D02363 | KEGG_DRUG |
| C0022616 | UMLSCUI |
| CHEBI:6123 | CHEBI |
| UYX | PDB_CHEM_ID |
| CHEMBL51 | ChEMBL_ID |
| D007650 | MESH_DESCRIPTOR_UI |
| DB12465 | DRUGBANK_ID |
| 3822 | PUBCHEM_CID |
| 88 | IUPHAR_LIGAND_ID |
| 5087 | INN_ID |
| 83846-83-7 | SECONDARY_CAS_RN |
| 97F9DE4CT4 | UNII |
| 6131 | RXNORM |
| 005934 | NDDF |
| 441818008 | SNOMEDCT_US |
| 442141001 | SNOMEDCT_US |
| CHEMBL1256709 | ChEMBL_ID |
| 97F9DE4CT4 | INXIGHT DRUGS |
Pharmaceutical products:
None