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

Stem definitionDrug idCAS RN
antibiotics, 6-aminopenicillanic acid derivatives 227 63469-19-2

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • PC-904
  • apalcillin sodium
  • apalcillin
  • Molecular weight: 521.55
  • Formula: C25H23N5O6S
  • CLOGP: 4.23
  • LIPINSKI: 2
  • HAC: 11
  • HDO: 4
  • TPSA: 161.82
  • ALOGS: -3.89
  • ROTB: 6

Drug dosage:

None

ADMET properties:

PropertyValueReference
Vd (Volume of distribution) 0.16 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 1.90 mL/min/kg Lombardo F, Berellini G, Obach RS
fu (Fraction unbound in plasma) 0.10 % Lombardo F, Berellini G, Obach RS
t_half (Half-life) 1.20 hours Lombardo F, Berellini G, Obach RS

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -0.702 Moderate 0.65
caco2-efflux Caco-2 efflux ratio (BA/AB) 5.534 Moderate 0.65
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 0.632 10^-6 cm/s Moderate 0.65
dh-clint Dog hepatocyte intrinsic clearance 1.770 uL/min/10^6 cells Moderate 0.65
dppb Dog plasma protein binding (% unbound) 25.090 % Moderate 0.65
fcs-ppb Fetal calf serum protein binding (% unbound) 21.090 % Moderate 0.65
herg hERG pIC50 4.488 pIC50 Moderate 0.65
hh-clint Human hepatocyte intrinsic clearance 1.334 uL/min/10^6 cells Moderate 0.65
hlm-clint Human liver microsomal intrinsic clearance 3.177 uL/min/mg protein Moderate 0.65
hppb Human plasma protein binding (% unbound) 15.190 % Moderate 0.65
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 1.409 Moderate 0.65
mh-clint Mouse hepatocyte intrinsic clearance 3.926 Moderate 0.65
mppb Mouse plasma protein binding (% unbound) 18.530 Moderate 0.65
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 1.205 Moderate 0.65
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 16.960 % Moderate 0.65
rh-clint Rat hepatocyte intrinsic clearance 2.143 uL/min/10^6 cells Moderate 0.65
rh-fuinc Rat hepatocyte fraction unbound in incubation 76.760 % Moderate 0.65
rppb Rat plasma protein binding (% unbound) 13.040 % Moderate 0.65
solubility-dd Solubility at pH 7.4 in DMSO 903.649 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:

None

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 7.26 acidic
pKa3 12.03 acidic
pKa4 2.44 Basic
pKa5 1.84 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
58795-03-2 SECONDARY_CAS_RN
C0052145 UMLSCUI
CHEBI:51691 CHEBI
CHEMBL3306902 ChEMBL_ID
CHEMBL3301666 ChEMBL_ID
C012122 MESH_SUPPLEMENTAL_RECORD_UI
10759 IUPHAR_LIGAND_ID
4422 INN_ID
3373RT9U7A UNII
6602341 PUBCHEM_CID
005976 NDDF
005977 NDDF

Pharmaceutical products:

None