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

Stem definitionDrug idCAS RN
3108 369-77-7

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • cloflucarban
  • clofucarban
  • halocarban
  • trifluoromethyldichlorocarbanilide
  • Molecular weight: 349.13
  • Formula: C14H9Cl2F3N2O
  • CLOGP: 5.79
  • LIPINSKI: 1
  • HAC: 3
  • HDO: 2
  • TPSA: 41.13
  • ALOGS: -5.56
  • ROTB: 3

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 5.018 Moderate 0.71
caco2-efflux Caco-2 efflux ratio (BA/AB) 1.884 Moderate 0.71
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 2.661 10^-6 cm/s Moderate 0.71
dh-clint Dog hepatocyte intrinsic clearance 5.284 uL/min/10^6 cells Moderate 0.71
dppb Dog plasma protein binding (% unbound) 0.120 % Moderate 0.71
fcs-ppb Fetal calf serum protein binding (% unbound) 0.150 % Moderate 0.71
herg hERG pIC50 4.931 pIC50 Moderate 0.71
hh-clint Human hepatocyte intrinsic clearance 10.889 uL/min/10^6 cells Moderate 0.71
hlm-clint Human liver microsomal intrinsic clearance 4.656 uL/min/mg protein Moderate 0.71
hppb Human plasma protein binding (% unbound) 0.310 % Moderate 0.71
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 4.102 Moderate 0.71
mh-clint Mouse hepatocyte intrinsic clearance 28.184 Moderate 0.71
mppb Mouse plasma protein binding (% unbound) 0.110 Moderate 0.71
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.457 Moderate 0.71
pfas-class PFAS structural alert (1 = True, 0 = False) 1
pppb Pig plasma protein binding (% unbound) 0.190 % Moderate 0.71
rh-clint Rat hepatocyte intrinsic clearance 9.311 uL/min/10^6 cells Moderate 0.71
rh-fuinc Rat hepatocyte fraction unbound in incubation 0.290 % Moderate 0.71
rppb Rat plasma protein binding (% unbound) 0.180 % Moderate 0.71
solubility-dd Solubility at pH 7.4 in DMSO 1.199 uM Moderate 0.71

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 antibacterial agent

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 11.82 acidic
pKa2 12.4 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D03548 KEGG_DRUG
CHEBI:135477 CHEBI
CHEMBL1981438 ChEMBL_ID
C005055 MESH_SUPPLEMENTAL_RECORD_UI
C0055912 UMLSCUI
9719 PUBCHEM_CID
2128 INN_ID
I5ZZY3DC5G UNII

Pharmaceutical products:

None