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linoleic acid 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| 3323 | 60-33-3 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
A doubly unsaturated fatty acid, occurring widely in plant glycosides. It is an essential fatty acid in mammalian nutrition and is used in the biosynthesis of prostaglandins and cell membranes. (From Stedman, 26th ed)
|
Drug dosage:
None
ADMET properties:
None
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 4.943 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 0.728 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 6.109 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 446.684 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 0.010 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 0.020 | % | High | 1 |
| herg | hERG pIC50 | 4.835 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 1559.553 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 35.892 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 0.060 | % | High | 1 |
| kinase-safety-class | ACVR2A,ACVR2B,ACVRL1,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IKBKB,ITK,JAK1,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CA,PIK3CB,PIK3CD,PIK3CG,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 | 57 | |||
| kinase-selectivity-class | AXL,BRAF,EIF2AK3,EPHB4,GRK2,MAP2K6,MAPK7,STK33,TEK | 9 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 0.361 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 465.586 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 0.050 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 0.774 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 0.030 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 540.754 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 3.650 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 0.030 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 14.962 | uM | High | 1 |
Approvals:
None
FDA Adverse Event Reporting System (Female)
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Hepatotoxicity | 168.41 | 66.87 | 41 | 473 | 45801 | 90582132 |
| Hepatic necrosis | 152.12 | 66.87 | 27 | 487 | 6411 | 90621522 |
| Hepatic encephalopathy | 131.62 | 66.87 | 27 | 487 | 13745 | 90614188 |
| Hepatic cirrhosis | 90.73 | 66.87 | 27 | 487 | 63226 | 90564707 |
| Drug-induced liver injury | 81.26 | 66.87 | 27 | 487 | 90291 | 90537642 |
FDA Adverse Event Reporting System (Male)
None
FDA Adverse Event Reporting System (Geriatric)
| MedDRA adverse event term | Likelihood ratio | Likelihood ratio threshold | Patients taking drug having adverse event | Patients taking drug not having adverse event | Patients not taking drug having adverse event | Patients not taking drug not having adverse event |
|---|---|---|---|---|---|---|
| Hepatotoxicity | 156.63 | 70.80 | 41 | 561 | 63359 | 110525338 |
| Hepatic necrosis | 141.46 | 70.80 | 27 | 575 | 9895 | 110578802 |
| Hepatic encephalopathy | 113.29 | 70.80 | 27 | 575 | 28229 | 110560468 |
| Hepatic cirrhosis | 89.94 | 70.80 | 27 | 575 | 67599 | 110521098 |
| Drug-induced liver injury | 78.49 | 70.80 | 28 | 574 | 120039 | 110468658 |
FDA Adverse Event Reporting System (Pediatric)
None
Pharmacologic Action:
| Source | Code | Description |
|---|---|---|
| CHEBI has role | CHEBI:35526 | hypoglycemic agent |
| CHEBI has role | CHEBI:35610 | antineoplastic agent |
| CHEBI has role | CHEBI:65023 | anti-asthmatic agent |
| CHEBI has role | CHEBI:74518 | anti-obesity agent |
| CHEBI has role | CHEBI:76924 | plant metabolite |
| CHEBI has role | CHEBI:83038 | <em>Daphnia galeata</em> metabolite |
| CHEBI has role | CHEBI:84735 | algal 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
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 4.76 | 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 |
|---|---|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 1 | Enzyme | IC50 | 4.89 | CHEMBL | |||||
| Aromatase | Enzyme | IC50 | 4.32 | CHEMBL | |||||
| Aldo-keto reductase family 1 member C3 | Enzyme | IC50 | 6.16 | CHEMBL | |||||
| Peroxisome proliferator-activated receptor alpha | Nuclear hormone receptor | Kd | 8.32 | CHEMBL | |||||
| Peroxisome proliferator-activated receptor gamma | Nuclear hormone receptor | IC50 | 5.21 | CHEMBL | |||||
| Fatty acid-binding protein, adipocyte | Cytosolic other | IC50 | 6 | CHEMBL | |||||
| Fatty acid-binding protein, heart | Cytosolic other | Kd | 9.70 | CHEMBL | |||||
| Peroxisome proliferator-activated receptor delta | Nuclear hormone receptor | IC50 | 5 | CHEMBL | |||||
| Free fatty acid receptor 1 | GPCR | AGONIST | EC50 | 5.70 | IUPHAR | ||||
| Potassium voltage-gated channel subfamily B member 1 | Ion channel | ACTIVATOR | EC50 | 5.60 | IUPHAR | ||||
| Tissue factor | Membrane receptor | IC50 | 4.39 | CHEMBL | |||||
| Free fatty acid receptor 4 | GPCR | AGONIST | EC50 | 5.89 | IUPHAR | ||||
| Nuclear receptor subfamily 4 group A member 2 | Nuclear other | Kd | 4.30 | CHEMBL | |||||
| NAD-dependent protein deacetylase sirtuin-6 | Enzyme | EC50 | 4 | CHEMBL | |||||
| Adenosine receptor A1 | GPCR | IC50 | 4.19 | CHEMBL | |||||
| Seed linoleate 13S-lipoxygenase-1 | Enzyme | IC50 | 6 | CHEMBL | |||||
| Prostaglandin G/H synthase 2 | Enzyme | IC50 | 4.03 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| 4020238 | VUID |
| N0000148142 | NUI |
| 4020238 | VANDF |
| C0023749 | UMLSCUI |
| CHEBI:17351 | CHEBI |
| EIC | PDB_CHEM_ID |
| CHEMBL267476 | ChEMBL_ID |
| DB14104 | DRUGBANK_ID |
| D019787 | MESH_DESCRIPTOR_UI |
| 5280450 | PUBCHEM_CID |
| 1052 | IUPHAR_LIGAND_ID |
| 9KJL21T0QJ | UNII |
| 6400 | RXNORM |
| 005003 | NDDF |
| 012326 | NDDF |
Pharmaceutical products:
| Product | Category | Ingredients | NDC | Form | Quantity | Route | Marketing | Label |
|---|---|---|---|---|---|---|---|---|
| Dr.Different VITAACNAL TX Capsule Serum | HUMAN OTC DRUG LABEL | 2 | 81710-110 | LIQUID | 0.76 g | TOPICAL | unapproved drug other | 8 sections |
| Anubis Barcelona Vital Line | HUMAN OTC DRUG LABEL | 23 | 83021-064 | CREAM | 0.16 g | TOPICAL | OTC monograph final | 5 sections |
| AnubisMed | HUMAN OTC DRUG LABEL | 28 | 83021-551 | CREAM | 0.50 g | TOPICAL | OTC monograph final | 7 sections |
| Anubis Barcelona Protective Line | HUMAN OTC DRUG LABEL | 27 | 83021-686 | CREAM | 0.50 g | TOPICAL | OTC monograph final | 9 sections |