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

Stem definitionDrug idCAS RN
3364 502-54-5

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • moctanin
  • monoctanoin
  • octanoic acid 1-monoglyceride
  • alpha-Monocaprylin
dissolution agent for retained cholesterol bile duct stones; RN in Chemline for octanoic acid, ester with 1,2,3-propanetriol, MF unknown: 11140-04-8; RN for octanoic acid, 2,3-dihydroxypropyl ester (1-monooctanoin): 502-54-5; RN in 9th CI Form Index for (+-)-1-monooctanoin: 19670-49-6
  • Molecular weight: 218.29
  • Formula: C11H22O4
  • CLOGP: 1.88
  • LIPINSKI: 0
  • HAC: 4
  • HDO: 2
  • TPSA: 66.76
  • ALOGS: -1.70
  • ROTB: 10
  • Status: OFM
    • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
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,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK7,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIK3CG,PIM2,PLK1,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,ZAP70 47
kinase-selectivity-class AXL,BRAF,EPHB4,GRK2,MAP2K6,STK33,TEK 7
pfas-class PFAS structural alert (1 = True, 0 = False) 0

Approvals:

DateAgencyCompanyOrphan
Oct. 29, 1985 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:

None

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 13.62 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
4021038 VUID
N0000179197 NUI
D05073 KEGG_DRUG
4021038 VANDF
C0066770 UMLSCUI
CHEBI:84309 CHEBI
CHEMBL6066833 ChEMBL_ID
DB06801 DRUGBANK_ID
3033877 PUBCHEM_CID
C025343 MESH_SUPPLEMENTAL_RECORD_UI
VFU0OU98LO UNII
30198 RXNORM
1833 MMSL
7406 MMSL
d01006 MMSL
001211 NDDF
010610 NDDF
108671000 SNOMEDCT_US
412545009 SNOMEDCT_US

Pharmaceutical products:

None