linolenic acid 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |

Stem definitionDrug idCAS RN
4618 463-40-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • linolenic acid
  • alpha-Linolenic acid
  • linolenate
A fatty acid that is found in plants and involved in the formation of prostaglandins.
  • Molecular weight: 278.44
  • Formula: C18H30O2
  • CLOGP: 6.82
  • LIPINSKI: 1
  • HAC: 2
  • HDO: 1
  • TPSA: 37.30
  • ALOGS: -6.02
  • ROTB: 13

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 4.768 Moderate 0.79
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.447 Moderate 0.79
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 11.803 10^-6 cm/s Moderate 0.79
dh-clint Dog hepatocyte intrinsic clearance 453.942 uL/min/10^6 cells Moderate 0.79
dppb Dog plasma protein binding (% unbound) 0.020 % Moderate 0.79
fcs-ppb Fetal calf serum protein binding (% unbound) 0.030 % Moderate 0.79
herg hERG pIC50 4.752 pIC50 Moderate 0.79
hh-clint Human hepatocyte intrinsic clearance 2233.572 uL/min/10^6 cells Moderate 0.79
hlm-clint Human liver microsomal intrinsic clearance 28.314 uL/min/mg protein Moderate 0.79
hppb Human plasma protein binding (% unbound) 0.070 % Moderate 0.79
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,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,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PIK3CD,PIK3CG,PIM2,PLK1,PRKCD,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ULK1,ZAP70 54
kinase-selectivity-class AXL,BRAF,CDK4,EIF2AK3,EPHB4,GRK2,MAP2K6,MAPK7,PLK1,STK33,TEK,TTK 12
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.316 Moderate 0.79
mh-clint Mouse hepatocyte intrinsic clearance 530.884 Moderate 0.79
mppb Mouse plasma protein binding (% unbound) 0.070 Moderate 0.79
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.713 Moderate 0.79
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 0.050 % Moderate 0.79
rh-clint Rat hepatocyte intrinsic clearance 966.051 uL/min/10^6 cells Moderate 0.79
rh-fuinc Rat hepatocyte fraction unbound in incubation 5.810 % Moderate 0.79
rppb Rat plasma protein binding (% unbound) 0.040 % Moderate 0.79
solubility-dd Solubility at pH 7.4 in DMSO 74.817 uM Moderate 0.79

Approvals:

DateAgencyCompanyOrphan
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:

SourceCodeDescription
CHEBI has role CHEBI:84735 algal metabolite
CHEBI has role CHEBI:27027 micronutrient
CHEBI has role CHEBI:50733 nutraceutical
CHEBI has role CHEBI:75771 mouse 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 levelDissociation constantType (acidic/basic)
pKa1 4.76 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

TargetClassPharosUniProtActionTypeActivity value
(-log[M])		Mechanism
action		Bioact sourceMoA source
Prostaglandin G/H synthase 1 Enzyme Ki 5.40 CHEMBL
Aromatase Enzyme IC50 4.35 CHEMBL
Peroxisome proliferator-activated receptor alpha Nuclear hormone receptor Kd 8.10 CHEMBL
Peroxisome proliferator-activated receptor gamma Nuclear hormone receptor Kd 5.70 CHEMBL
Fatty acid-binding protein, heart Cytosolic other Kd 8.56 CHEMBL
Peroxisome proliferator-activated receptor delta Nuclear hormone receptor IC50 4.80 CHEMBL
Free fatty acid receptor 1 GPCR EC50 5.52 CHEMBL
Tissue factor Membrane receptor IC50 4.52 CHEMBL
Prostaglandin G/H synthase 2 Enzyme IC50 4.92 CHEMBL
Prostaglandin G/H synthase 1 Enzyme IC50 4.03 CHEMBL

External reference:

IDSource
4020239 VUID
N0000148143 NUI
4020239 VANDF
CHEBI:27432 CHEBI
LNL PDB_CHEM_ID
CHEMBL8739 ChEMBL_ID
DB00132 DRUGBANK_ID
0RBV727H71 UNII
52071 RXNORM
009723 NDDF
81868000 SNOMEDCT_US
C0125903 UMLSCUI
D017962 MESH_DESCRIPTOR_UI
5280934 PUBCHEM_CID
0RBV727H71 INXIGHT DRUGS

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
Anubis Barcelona Vital Line HUMAN OTC DRUG LABEL 23 83021-064 CREAM 0.04 g TOPICAL OTC monograph final 5 sections
AnubisMed HUMAN OTC DRUG LABEL 28 83021-551 CREAM 0.00 g TOPICAL OTC monograph final 7 sections
Anubis Barcelona Protective Line HUMAN OTC DRUG LABEL 27 83021-686 CREAM 0.00 g TOPICAL OTC monograph final 9 sections