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

Stem definitionDrug idCAS RN
antibiotics, 6-aminopenicillanic acid derivatives 4052 41744-40-5

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • sulbenicillin
Semisynthetic penicillin-type antibiotic.
  • Molecular weight: 414.45
  • Formula: C16H18N2O7S2
  • CLOGP: -0.12
  • LIPINSKI: 0
  • HAC: 9
  • HDO: 3
  • TPSA: 141.08
  • ALOGS: -2.75
  • ROTB: 5

Drug dosage:

DoseUnitRoute
15 g P

ADMET properties:

PropertyValueReference
Vd (Volume of distribution) 0.15 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 1.60 mL/min/kg Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma) 0.50 % Lombardo F, Berellini G, Obach RS
t_half (Half-life) 1.20 hours Lombardo F, Berellini G, Obach RS
BA (Bioavailability) 0 %

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -2.341 Moderate 0.73
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.406 Moderate 0.73
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 0.129 10^-6 cm/s Moderate 0.73
dh-clint Dog hepatocyte intrinsic clearance 2.667 uL/min/10^6 cells Moderate 0.73
dppb Dog plasma protein binding (% unbound) 58.440 % Moderate 0.73
fcs-ppb Fetal calf serum protein binding (% unbound) 49.020 % Moderate 0.73
herg hERG pIC50 4.476 pIC50 Moderate 0.73
hh-clint Human hepatocyte intrinsic clearance 1.213 uL/min/10^6 cells Moderate 0.73
hlm-clint Human liver microsomal intrinsic clearance 3.573 uL/min/mg protein Moderate 0.73
hppb Human plasma protein binding (% unbound) 54.420 % Moderate 0.73
kinase-safety-class ACVR2A,ACVR2B,ACVRL1,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,GRK2,GRK3,GSK3B,ITK,JAK1,JAK2,JAK3,KDR,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK12,MAPK7,MAPK9,MAPKAPK2,MTOR,NTRK2,PDK1,PDK2,PIK3CB,PIK3CD,PIK3CG,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,TTK,ZAP70 52
kinase-selectivity-class AXL,CDK9,GRK2,MAP2K6,TEK,TGFBR1,ZAP70 7
mdck-mdr1-bcrp-efflux MDCK-MDR1-BCRP efflux ratio 0.316 Moderate 0.73
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.208 Moderate 0.73
mh-clint Mouse hepatocyte intrinsic clearance 2.094 Moderate 0.73
mppb Mouse plasma protein binding (% unbound) 71.760 Moderate 0.73
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.108 Moderate 0.73
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 49.310 % Moderate 0.73
rat-kpuu-brain Rat brain Kpuu 0.005 % Moderate 0.73
rh-clint Rat hepatocyte intrinsic clearance 1.932 uL/min/10^6 cells Moderate 0.73
rh-fuinc Rat hepatocyte fraction unbound in incubation 90.830 % Moderate 0.73
rppb Rat plasma protein binding (% unbound) 37.110 % Moderate 0.73
solubility-dd Solubility at pH 7.4 in DMSO 862.979 uM Moderate 0.73

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
ATC J01CA16 ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Penicillins with extended spectrum
MeSH PA D000890 Anti-Infective Agents
MeSH PA D000900 Anti-Bacterial Agents
CHEBI has role CHEBI:33282 antibacterial agent

Related Drugs by ATC class:

J01CA Penicillins with extended spectrum 18 drugs

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 0.17 acidic
pKa2 2.79 acidic
pKa3 12.0 acidic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
N0000166999 NUI
D08534 KEGG_DRUG
C0038666 UMLSCUI
CHEBI:9322 CHEBI
CHEMBL1256734 ChEMBL_ID
D013408 MESH_DESCRIPTOR_UI
DB13693 DRUGBANK_ID
20055036 PUBCHEM_CID
12273 IUPHAR_LIGAND_ID
3146 INN_ID
Q2VYF0562D UNII
10168 RXNORM
006234 NDDF

Pharmaceutical products:

None