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

Stem definitionDrug idCAS RN
antibiotics, 6-aminopenicillanic acid derivatives 248 63358-49-6

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • aspoxicillin
  • Molecular weight: 493.54
  • Formula: C21H27N5O7S
  • CLOGP: -3.20
  • LIPINSKI: 2
  • HAC: 12
  • HDO: 6
  • TPSA: 191.16
  • ALOGS: -2.98
  • ROTB: 8

Drug dosage:

DoseUnitRoute
4 g P

ADMET properties:

PropertyValueReference
Vd (Volume of distribution) 0.27 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 2.82 mL/min/kg Lombardo F, Berellini G, Obach RS
t_half (Half-life) 1.45 hours Lombardo F, Berellini G, Obach RS

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -1.977 Moderate 0.67
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.401 Moderate 0.67
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 0.236 10^-6 cm/s Moderate 0.67
dh-clint Dog hepatocyte intrinsic clearance 1.035 uL/min/10^6 cells Moderate 0.67
dppb Dog plasma protein binding (% unbound) 87.720 % Moderate 0.67
fcs-ppb Fetal calf serum protein binding (% unbound) 71.380 % Moderate 0.67
herg hERG pIC50 4.242 pIC50 Moderate 0.67
hh-clint Human hepatocyte intrinsic clearance 4.920 uL/min/10^6 cells Moderate 0.67
hlm-clint Human liver microsomal intrinsic clearance 3.373 uL/min/mg protein Moderate 0.67
hppb Human plasma protein binding (% unbound) 84.300 % Moderate 0.67
kinase-safety-class ACVR2A,ACVR2B,AXL,BRAF,BTK,CAMK2D,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,GRK2,ITK,JAK3,MAP2K6,MAP3K21,MAPK10,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PIK3CB,PIM2,PRKDC,STK33,SYK,TEK,TGFBR1,ZAP70 33
kinase-selectivity-class AXL,GRK2,MAP2K6 3
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.491 Moderate 0.67
mh-clint Mouse hepatocyte intrinsic clearance 4.645 Moderate 0.67
mppb Mouse plasma protein binding (% unbound) 83.300 Moderate 0.67
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 1.035 Moderate 0.67
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 76.060 % Moderate 0.67
rh-clint Rat hepatocyte intrinsic clearance 3.508 uL/min/10^6 cells Moderate 0.67
rh-fuinc Rat hepatocyte fraction unbound in incubation 81.570 % Moderate 0.67
rppb Rat plasma protein binding (% unbound) 78.560 % Moderate 0.67
solubility-dd Solubility at pH 7.4 in DMSO 907.821 uM Moderate 0.67

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 J01CA19 ANTIINFECTIVES FOR SYSTEMIC USE
ANTIBACTERIALS FOR SYSTEMIC USE
BETA-LACTAM ANTIBACTERIALS, PENICILLINS
Penicillins with extended spectrum
CHEBI has role CHEBI:33282 antibacterial agent

Related Drugs by ATC class:

J01CA Penicillins with extended spectrum 18 drugs
amoxicillinampicillinazlocillinbacampicillincarbenicillincarindacillinepicillinhetacillinmecillinammetampicillinmezlocillinpiperacillin show all 18 →

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 2.79 acidic
pKa2 7.93 acidic
pKa3 11.71 acidic
pKa4 12.25 acidic
pKa5 7.09 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D07469 KEGG_DRUG
C0104449 UMLSCUI
CHEBI:31240 CHEBI
CHEMBL1318150 ChEMBL_ID
DB13816 DRUGBANK_ID
C037485 MESH_SUPPLEMENTAL_RECORD_UI
12293 IUPHAR_LIGAND_ID
5350 INN_ID
0745KNO26J UNII
71961 PUBCHEM_CID

Pharmaceutical products:

None