octanoic acid 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definitionDrug idCAS RN
3998 124-07-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • octanoic acid
  • caprylic acid
  • Molecular weight: 144.21
  • Formula: C8H16O2
  • CLOGP: 2.98
  • LIPINSKI: 0
  • HAC: 2
  • HDO: 1
  • TPSA: 37.30
  • ALOGS: -2.20
  • ROTB: 6

Drug dosage:

None

ADMET properties:

None

Approvals:

None

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:33282 bactericides
CHEBI has role CHEBI:76971 Escherichia coli metabolites
CHEBI has role CHEBI:77746 Homo sapiens 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
G-protein coupled receptor 84 GPCR Ki 4.71 CHEMBL

External reference:

IDSource
4030979 VUID
N0000183249 NUI
D05220 KEGG_DRUG
4030979 VANDF
C0054616 UMLSCUI
CHEBI:28837 CHEBI
OCA PDB_CHEM_ID
CHEMBL324846 ChEMBL_ID
DB04519 DRUGBANK_ID
C031492 MESH_SUPPLEMENTAL_RECORD_UI
4585 IUPHAR_LIGAND_ID
OBL58JN025 UNII
379 PUBCHEM_CID
20178 RXNORM
002897 NDDF
5433 INN_ID

Pharmaceutical products:

None