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

Stem definitionDrug idCAS RN
3400 112-80-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • oleic acid
  • 9Z-Octadecenoic acid
  • oleate
  • oleate sodium
An unsaturated fatty acid that is the most widely distributed and abundant fatty acid in nature. It is used commercially in the preparation of oleates and lotions, and as a pharmaceutical solvent. (Stedman, 26th ed)
  • Molecular weight: 282.47
  • Formula: C18H34O2
  • CLOGP: 7.79
  • LIPINSKI: 1
  • HAC: 2
  • HDO: 1
  • TPSA: 37.30
  • ALOGS: -6.37
  • ROTB: 15

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 5.264 High 0.88
caco2-efflux Caco-2 efflux ratio (BA/AB) 1.489 High 0.88
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 3.459 10^-6 cm/s High 0.88
dh-clint Dog hepatocyte intrinsic clearance 746.449 uL/min/10^6 cells High 0.88
dppb Dog plasma protein binding (% unbound) 0.010 % High 0.88
fcs-ppb Fetal calf serum protein binding (% unbound) 0.030 % High 0.88
herg hERG pIC50 4.828 pIC50 High 0.88
hh-clint Human hepatocyte intrinsic clearance 2167.704 uL/min/10^6 cells High 0.88
hlm-clint Human liver microsomal intrinsic clearance 38.726 uL/min/mg protein High 0.88
hppb Human plasma protein binding (% unbound) 0.110 % High 0.88
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,MAP3K14,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 58
kinase-selectivity-class AXL,BRAF,CDK4,CSNK2A2,EIF2AK3,EPHB4,GRK2,MAP2K6,MAPK7,PLK1,PLK2,PLK3,STK33,TEK,TTK 15
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.374 High 0.88
mh-clint Mouse hepatocyte intrinsic clearance 760.326 High 0.88
mppb Mouse plasma protein binding (% unbound) 0.070 High 0.88
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.267 High 0.88
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 0.040 % High 0.88
rh-clint Rat hepatocyte intrinsic clearance 437.522 uL/min/10^6 cells High 0.88
rh-fuinc Rat hepatocyte fraction unbound in incubation 1.580 % High 0.88
rppb Rat plasma protein binding (% unbound) 0.040 % High 0.88
solubility-dd Solubility at pH 7.4 in DMSO 5.984 uM High 0.88

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:22586 antioxidant
CHEBI has role CHEBI:35610 antineoplastic agent
CHEBI has role CHEBI:35705 immunosuppressive agent
CHEBI has role CHEBI:46787 solvent
CHEBI has role CHEBI:75771 mouse metabolite
CHEBI has role CHEBI:76924 plant metabolite
CHEBI has role CHEBI:76971 <em>Escherichia coli</em> metabolite
CHEBI has role CHEBI:78444 EC 3.1.1.1 (carboxylesterase) inhibitor
CHEBI has role CHEBI:83038 <em>Daphnia galeata</em> metabolite
CHEBI has role CHEBI:75772 <em>Saccharomyces cerevisiae </em> metabolite

Drug Use | Suggest Off label Use Form| |View source of the data|

DiseaseRelationSNOMED_IDDOID
Sensation Disturbance of Genitals contraindication




🐶 Veterinary Drug Use

SpeciesUseRelation
Horses Stimulates infiltration of cellular blood components that subsequently differentiate into fibrous and/or fibrocartilaginous tissue Indication

🐶 Veterinary products

ProductApplicantIngredients
Osteum Solution 50 mg Summit Hill Laboratories 1

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
Fatty-acid amide hydrolase 1 Enzyme Ki 5.22 CHEMBL
Aromatase Enzyme IC50 4.49 CHEMBL
Peroxisome proliferator-activated receptor alpha Nuclear hormone receptor IC50 6.22 CHEMBL
Peroxisome proliferator-activated receptor gamma Nuclear hormone receptor IC50 5.39 CHEMBL
Tyrosine-protein phosphatase non-receptor type 1 Enzyme IC50 5.21 CHEMBL
Receptor-type tyrosine-protein kinase FLT3 Kinase IC50 6.29 CHEMBL
Fatty acid-binding protein, adipocyte Cytosolic other Ki 6.73 CHEMBL
DNA topoisomerase 1 Enzyme IC50 4.51 CHEMBL
Telomerase reverse transcriptase Enzyme IC50 5.07 CHEMBL
Fatty acid-binding protein, epidermal Cytosolic other Ki 6.61 CHEMBL
Peroxisome proliferator-activated receptor delta Nuclear hormone receptor IC50 5.28 CHEMBL
Free fatty acid receptor 1 GPCR AGONIST EC50 5.70 IUPHAR
Fatty acid-binding protein, liver Cytosolic other Kd 6.70 CHEMBL
Tissue factor Membrane receptor IC50 4.10 CHEMBL
Free fatty acid receptor 4 GPCR AGONIST EC50 4.70 IUPHAR
Nuclear receptor subfamily 4 group A member 2 Nuclear other Kd 4.30 CHEMBL
NAD-dependent protein deacetylase sirtuin-6 Enzyme EC50 4.05 CHEMBL
Fatty acid-binding protein, liver Cytosolic other Ki 6.74 CHEMBL
Seed linoleate 13S-lipoxygenase-1 Enzyme Ki 4.66 CHEMBL

External reference:

IDSource
4020299 VUID
N0000148167 NUI
4020299 VANDF
C0028928 UMLSCUI
CHEBI:16196 CHEBI
OLA PDB_CHEM_ID
CHEMBL8659 ChEMBL_ID
DB04224 DRUGBANK_ID
D019301 MESH_DESCRIPTOR_UI
445639 PUBCHEM_CID
1054 IUPHAR_LIGAND_ID
2UMI9U37CP UNII
70616 RXNORM
NOCODE MMSL
002530 NDDF
259579007 SNOMEDCT_US
427281002 SNOMEDCT_US
2UMI9U37CP INXIGHT DRUGS

Pharmaceutical products:

ProductCategoryIngredientsNDCFormQuantityRouteMarketingLabel
Sha-lem HUMAN OTC DRUG LABEL 5 59862-100 OINTMENT 14.50 g TOPICAL unapproved drug other 10 sections