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sitosterol 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| 2451 | 83-46-5 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
used as tranquillizer; sedative; or anticonvulsant; structure
|
Drug dosage:
None
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| Vd (Volume of distribution) | 0.30 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 0.02 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| t_half (Half-life) | 372.40 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 | 4.464 | Moderate | 0.73 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 2.438 | Moderate | 0.73 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 0.045 | 10^-6 cm/s | Moderate | 0.73 |
| dh-clint | Dog hepatocyte intrinsic clearance | 34.356 | uL/min/10^6 cells | Moderate | 0.73 |
| dppb | Dog plasma protein binding (% unbound) | 1 | % | Moderate | 0.73 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 0.180 | % | Moderate | 0.73 |
| herg | hERG pIC50 | 4.785 | pIC50 | Moderate | 0.73 |
| hh-clint | Human hepatocyte intrinsic clearance | 23.388 | uL/min/10^6 cells | Moderate | 0.73 |
| hlm-clint | Human liver microsomal intrinsic clearance | 99.083 | uL/min/mg protein | Moderate | 0.73 |
| hppb | Human plasma protein binding (% unbound) | 1.360 | % | Moderate | 0.73 |
| kinase-safety-class | ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK4,CDK5,CDK9,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,MAPK10,MAPK7,MAPKAPK2,NTRK2,PDK2,PDK4,PRKDC,TEK,TGFBR1 | 22 | |||
| kinase-selectivity-class | EIF2AK3 | 1 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.134 | Moderate | 0.73 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 77.268 | Moderate | 0.73 | |
| mppb | Mouse plasma protein binding (% unbound) | 0.830 | Moderate | 0.73 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.040 | Moderate | 0.73 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 0.210 | % | Moderate | 0.73 |
| rh-clint | Rat hepatocyte intrinsic clearance | 54.828 | uL/min/10^6 cells | Moderate | 0.73 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 0.100 | % | Moderate | 0.73 |
| rppb | Rat plasma protein binding (% unbound) | 1.190 | % | Moderate | 0.73 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 1.429 | uM | Moderate | 0.73 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| None | FDA |
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 |
|---|---|---|
| MeSH PA | D000927 | Anticonvulsants |
| MeSH PA | D002491 | Central Nervous System Agents |
| MeSH PA | D002492 | Central Nervous System Depressants |
| MeSH PA | D007202 | Indicators and Reagents |
| MeSH PA | D007364 | Intercalating Agents |
| MeSH PA | D011619 | Psychotropic Drugs |
| MeSH PA | D014149 | Tranquilizing Agents |
| MeSH PA | D000960 | Hypolipidemic Agents |
| MeSH PA | D000963 | Antimetabolites |
| MeSH PA | D057847 | Lipid Regulating Agents |
| CHEBI has role | CHEBI:22586 | antioxidant |
| CHEBI has role | CHEBI:35821 | anticholesteremic drug |
| CHEBI has role | CHEBI:52303 | sterol methyltransferase inhibitor |
| CHEBI has role | CHEBI:75771 | mouse metabolite |
| CHEBI has role | CHEBI:76924 | plant metabolite |
Drug Use | Suggest Off label Use Form| |View source of the data|
None
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
None
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 |
|---|---|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | Enzyme | IC50 | 5.56 | CHEMBL | |||||
| Amine oxidase [flavin-containing] A | Enzyme | Ki | 6.34 | CHEMBL | |||||
| Prothrombin | Enzyme | Ki | 6.57 | CHEMBL | |||||
| Dipeptidyl peptidase 4 | Enzyme | IC50 | 4.54 | CHEMBL | |||||
| Nuclear factor NF-kappa-B p105 subunit | Cytosolic other | IC50 | 5.60 | CHEMBL | |||||
| DNA polymerase beta | Enzyme | IC50 | 4.58 | CHEMBL | |||||
| Acetylcholinesterase | Enzyme | IC50 | 4.59 | CHEMBL | |||||
| Amine oxidase [flavin-containing] A | Enzyme | IC50 | 5.05 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| 4021488 | VUID |
| N0000148865 | NUI |
| 523-50-2 | SECONDARY_CAS_RN |
| 4021488 | VANDF |
| C0106127 | UMLSCUI |
| CHEBI:27693 | CHEBI |
| CHEMBL2108117 | ChEMBL_ID |
| CHEMBL53569 | ChEMBL_ID |
| CHEMBL221542 | ChEMBL_ID |
| DB14038 | DRUGBANK_ID |
| C025473 | MESH_SUPPLEMENTAL_RECORD_UI |
| C011659 | MESH_SUPPLEMENTAL_RECORD_UI |
| 222284 | PUBCHEM_CID |
| 2690789 | RXNORM |
| 012937 | NDDF |
| A1LXL | PDB_CHEM_ID |
| 13860 | IUPHAR_LIGAND_ID |
| CZZ080D7BD | UNII |
Pharmaceutical products:
None