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

Stem definitionDrug idCAS RN
antibiotics, 6-aminopenicillanic acid derivatives 1025 26774-90-3

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • epicillin
  • dexacilina
  • dexacillin
  • dihydroampicillin
  • spectacillin
semisynthetic penicillin type antibiotic; minor descriptor (75-85); on-line & Index Medicus search AMPICILLIN/AA (75-85); RN given refers to (2s(2alpha,5alpha,6beta(S*)))-isomer
  • Molecular weight: 351.42
  • Formula: C16H21N3O4S
  • CLOGP: -1.09
  • LIPINSKI: 0
  • HAC: 7
  • HDO: 3
  • TPSA: 112.73
  • ALOGS: -2.65
  • ROTB: 4

Drug dosage:

DoseUnitRoute
2 g O
2 g P

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -1.524 Moderate 0.65
caco2-efflux Caco-2 efflux ratio (BA/AB) 0.637 Moderate 0.65
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 0.333 10^-6 cm/s Moderate 0.65
dh-clint Dog hepatocyte intrinsic clearance 2.075 uL/min/10^6 cells Moderate 0.65
dppb Dog plasma protein binding (% unbound) 88.610 % Moderate 0.65
fcs-ppb Fetal calf serum protein binding (% unbound) 75.590 % Moderate 0.65
herg hERG pIC50 4.312 pIC50 Moderate 0.65
hh-clint Human hepatocyte intrinsic clearance 1.422 uL/min/10^6 cells Moderate 0.65
hlm-clint Human liver microsomal intrinsic clearance 3.105 uL/min/mg protein Moderate 0.65
hppb Human plasma protein binding (% unbound) 89.660 % Moderate 0.65
kinase-safety-class ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,ERBB2,GRK2,GSK3B,ITK,JAK2,JAK3,KDR,MAP2K6,MAP3K14,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PIK3CB,PIM2,PRKDC,SIK2,STK33,SYK,TEK,TGFBR1,ZAP70 40
kinase-selectivity-class AXL,GRK2,MAP2K6,TGFBR1 4
mdck-mdr1-bcrp-efflux MDCK-MDR1-BCRP efflux ratio 0.431 Moderate 0.65
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.791 Moderate 0.65
mh-clint Mouse hepatocyte intrinsic clearance 1.816 Moderate 0.65
mppb Mouse plasma protein binding (% unbound) 88.590 Moderate 0.65
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 1.514 Moderate 0.65
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 80.940 % Moderate 0.65
rat-kpuu-brain Rat brain Kpuu 0.007 % Moderate 0.65
rh-clint Rat hepatocyte intrinsic clearance 1.119 uL/min/10^6 cells Moderate 0.65
rh-fuinc Rat hepatocyte fraction unbound in incubation 91.120 % Moderate 0.65
rppb Rat plasma protein binding (% unbound) 86.290 % Moderate 0.65
solubility-dd Solubility at pH 7.4 in DMSO 937.562 uM Moderate 0.65

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 J01CA07 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
amoxicillinampicillinaspoxicillinazlocillinbacampicillincarbenicillincarindacillinhetacillinmecillinammetampicillinmezlocillinpiperacillin 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 7.56 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D04020 KEGG_DRUG
C0059424 UMLSCUI
CHEBI:58974 CHEBI
CHEMBL2104266 ChEMBL_ID
DB13300 DRUGBANK_ID
C100212 MESH_SUPPLEMENTAL_RECORD_UI
71392 PUBCHEM_CID
10804 IUPHAR_LIGAND_ID
2996 INN_ID
3LU1L73C8Y UNII
34983009 SNOMEDCT_US

Pharmaceutical products:

None