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

Stem definitionDrug idCAS RN
antihyperlidaemics, thyromimetic derivatives 316 37106-97-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • bentiromide
  • chymex
chymotrypsin labile peptide used diagnostically as an index of exocrine pancreas function
  • Molecular weight: 404.42
  • Formula: C23H20N2O5
  • CLOGP: 2.96
  • LIPINSKI: 0
  • HAC: 7
  • HDO: 4
  • TPSA: 115.73
  • ALOGS: -4.99
  • ROTB: 7
  • 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
azlogd74 LogD at pH 7.4 0.066 Moderate 0.76
caco2-efflux Caco-2 efflux ratio (BA/AB) 3.266 Moderate 0.76
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 0.582 10^-6 cm/s Moderate 0.76
dh-clint Dog hepatocyte intrinsic clearance 0.877 uL/min/10^6 cells Moderate 0.76
dppb Dog plasma protein binding (% unbound) 19.420 % Moderate 0.76
fcs-ppb Fetal calf serum protein binding (% unbound) 31.770 % Moderate 0.76
herg hERG pIC50 4.418 pIC50 Moderate 0.76
hh-clint Human hepatocyte intrinsic clearance 2.168 uL/min/10^6 cells Moderate 0.76
hlm-clint Human liver microsomal intrinsic clearance 3.055 uL/min/mg protein Moderate 0.76
hppb Human plasma protein binding (% unbound) 18.960 % Moderate 0.76
kinase-safety-class ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EIF2AK3,ERBB2,GRK2,GRK3,ITK,JAK2,MAP2K6,MAP3K7,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PDPK1,PIK3CB,PLK1,PRKDC,SIK2,STK33,SYK,TEK,TTK,ZAP70 35
kinase-selectivity-class ACVR2B,AXL,BRAF,CDK9,DYRK1B,EIF2AK3,EPHB4,ERBB2,GRK2,GRK3,MAPK7,PDK4,PRKDC,SIK2,STK33,TEK,TTK 17
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.774 Moderate 0.76
mh-clint Mouse hepatocyte intrinsic clearance 5.346 Moderate 0.76
mppb Mouse plasma protein binding (% unbound) 28.290 Moderate 0.76
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.393 Moderate 0.76
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 15.910 % Moderate 0.76
rh-clint Rat hepatocyte intrinsic clearance 10.914 uL/min/10^6 cells Moderate 0.76
rh-fuinc Rat hepatocyte fraction unbound in incubation 75.250 % Moderate 0.76
rppb Rat plasma protein binding (% unbound) 17.220 % Moderate 0.76
solubility-dd Solubility at pH 7.4 in DMSO 887.156 uM Moderate 0.76

Approvals:

DateAgencyCompanyOrphan
Dec. 29, 1983 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
ATC V04CK03 VARIOUS
DIAGNOSTIC AGENTS
OTHER DIAGNOSTIC AGENTS
Tests for pancreatic function
MeSH PA D007202 Indicators and Reagents
CHEBI has role CHEBI:33295 diagnostic agent
CHEBI has role CHEBI:33893 reagent
CHEBI has role CHEBI:47867 indicator

Related Drugs by ATC class:

V04CK Tests for pancreatic function 2 drugs
pancreozyminsecretin human

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

DiseaseRelationSNOMED_IDDOID
Diagnostic Test for Pancreas Function indication




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 4.27 acidic
pKa2 8.99 acidic
pKa3 11.54 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
4018108 VUID
N0000146446 NUI
D01346 KEGG_DRUG
18896 RXNORM
C0053122 UMLSCUI
CHEBI:31263 CHEBI
CHEMBL1200368 ChEMBL_ID
DB00522 DRUGBANK_ID
C006717 MESH_SUPPLEMENTAL_RECORD_UI
6957673 PUBCHEM_CID
4424 INN_ID
239IF5W61J UNII
4018108 VANDF
001240 NDDF

Pharmaceutical products:

None