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

Stem definitionDrug idCAS RN
anti-infectives, sulfonamides 3558 127-71-9

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • sulfabenzamide
  • sulfabenzamid
  • sulfabenzid
  • sulfabenzide
  • sulfabenzoylamide
  • Molecular weight: 276.31
  • Formula: C13H12N2O3S
  • CLOGP: 1.76
  • LIPINSKI: 0
  • HAC: 5
  • HDO: 2
  • TPSA: 89.26
  • ALOGS: -3.31
  • ROTB: 2
  • 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 -1.120 Moderate 0.70
caco2-efflux Caco-2 efflux ratio (BA/AB) 2.851 Moderate 0.70
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 7.194 10^-6 cm/s Moderate 0.70
dh-clint Dog hepatocyte intrinsic clearance 2.547 uL/min/10^6 cells Moderate 0.70
dppb Dog plasma protein binding (% unbound) 11.320 % Moderate 0.70
fcs-ppb Fetal calf serum protein binding (% unbound) 17.020 % Moderate 0.70
herg hERG pIC50 4.163 pIC50 Moderate 0.70
hh-clint Human hepatocyte intrinsic clearance 1.581 uL/min/10^6 cells Moderate 0.70
hlm-clint Human liver microsomal intrinsic clearance 3.715 uL/min/mg protein Moderate 0.70
hppb Human plasma protein binding (% unbound) 6.260 % Moderate 0.70
kinase-safety-class ACVR2A,ACVR2B,AKT3,ALK,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK1,CDK5,CDK9,CHEK1,CSF1R,DDR1,DYRK1B,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GRK3,GSK3B,IKBKB,JAK1,JAK2,KIT,MAP2K1,MAP2K6,MAP3K1,MAP3K10,MAP3K14,MAP3K21,MAP3K7,MAP4K1,MAP4K3,MAPK1,MAPK12,MAPK7,MAPK8,MAPK9,MAPKAPK2,MARK4,MTOR,NTRK2,PAK4,PDK1,PDK2,PDPK1,PIK3CB,PIK3CD,PIM2,PLK1,PRKCD,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1,ULK2 65
kinase-selectivity-class ACVR2A,ACVR2B,AURKA,AXL,CAMK2D,CDK9,DDR1,DYRK1B,EPHB4,ERBB2,GRK2,JAK1,MAP2K3,MAP2K6,MAP3K1,MAP3K7,MAPK7,MARK4,MTOR,NTRK3,PDK4,PRKDC,SGK1,SIK2,SIK3,STK33,SYK,TEK,TTK,ULK1 30
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.318 Moderate 0.70
mh-clint Mouse hepatocyte intrinsic clearance 7.621 Moderate 0.70
mppb Mouse plasma protein binding (% unbound) 21.990 Moderate 0.70
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.794 Moderate 0.70
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 6.680 % Moderate 0.70
rh-clint Rat hepatocyte intrinsic clearance 2.109 uL/min/10^6 cells Moderate 0.70
rh-fuinc Rat hepatocyte fraction unbound in incubation 89.310 % Moderate 0.70
rppb Rat plasma protein binding (% unbound) 4.290 % Moderate 0.70
solubility-dd Solubility at pH 7.4 in DMSO 950.605 uM Moderate 0.70

Approvals:

DateAgencyCompanyOrphan
Sept. 12, 1945 FDA ORTHO MCNEIL PHARM

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:36043 antimicrobial drug
CHEBI has role CHEBI:36047 antibacterial drug

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

DiseaseRelationSNOMED_IDDOID
Vulvovaginitis indication 53277000 DOID:2273
Gardnerella Vaginalis Bacterial Vaginosis indication
Kidney disease contraindication 90708001 DOID:557
Anemia due to enzyme deficiency contraindication 111577008
Deficiency of glucose-6-phosphate dehydrogenase contraindication 124134002 DOID:2862
Disease of blood AND/OR blood-forming organ contraindication 191124002 DOID:74
Disease of liver contraindication 235856003 DOID:409
Breastfeeding (mother) contraindication 413712001
Porphyria contraindication 418470004




🐶 Veterinary Drug Use

None

🐶 Veterinary products

None

Acid dissociation constants calculated using MoKa v3.0.0

Dissociation levelDissociation constantType (acidic/basic)
pKa1 4.66 acidic
pKa2 2.36 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
4018556 VUID
N0000179258 NUI
D05946 KEGG_DRUG
4018556 VANDF
C0075504 UMLSCUI
CHEBI:94677 CHEBI
CHEMBL1243 ChEMBL_ID
DB09355 DRUGBANK_ID
C034094 MESH_SUPPLEMENTAL_RECORD_UI
5319 PUBCHEM_CID
12632 IUPHAR_LIGAND_ID
3177 INN_ID
G58F8OPL4I UNII
37320 RXNORM
5522 MMSL
002842 NDDF
371427008 SNOMEDCT_US
371428003 SNOMEDCT_US
BS4 PDB_CHEM_ID

Pharmaceutical products:

None