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

Stem definitionDrug idCAS RN
nucleosides antiviral or antineoplastic agents, cytarabine or azacitidine derivatives 3635 145918-75-8

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • troxacitabine
  • troxatyl
  • alpha-L-Dioxolane-C
  • Molecular weight: 213.19
  • Formula: C8H11N3O4
  • CLOGP: -1.77
  • LIPINSKI: 0
  • HAC: 7
  • HDO: 2
  • TPSA: 97.38
  • ALOGS: -1.16
  • ROTB: 2

Drug dosage:

None

ADMET properties:

PropertyValueReference
Vd (Volume of distribution) 1 L/kg Lombardo F, Berellini G, Obach RS
CL (Clearance) 2.40 mL/min/kg Lombardo F, Berellini G, Obach RS
t_half (Half-life) 82 hours Lombardo F, Berellini G, Obach RS
BA (Bioavailability) 0 %

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -1.675 Moderate 0.68
caco2-efflux Caco-2 efflux ratio (BA/AB) 6.823 Moderate 0.68
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 0.662 10^-6 cm/s Moderate 0.68
dh-clint Dog hepatocyte intrinsic clearance 0.809 uL/min/10^6 cells Moderate 0.68
dppb Dog plasma protein binding (% unbound) 96.840 % Moderate 0.68
fcs-ppb Fetal calf serum protein binding (% unbound) 95.970 % Moderate 0.68
herg hERG pIC50 3.039 pIC50 Moderate 0.68
hh-clint Human hepatocyte intrinsic clearance 1.199 uL/min/10^6 cells Moderate 0.68
hlm-clint Human liver microsomal intrinsic clearance 3.381 uL/min/mg protein Moderate 0.68
hppb Human plasma protein binding (% unbound) 93.520 % Moderate 0.68
mdck-mdr1-bcrp-efflux MDCK-MDR1-BCRP efflux ratio 0.509 Moderate 0.65
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 3.083 Moderate 0.68
mh-clint Mouse hepatocyte intrinsic clearance 0.703 Moderate 0.68
mppb Mouse plasma protein binding (% unbound) 97.900 Moderate 0.68
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 1.442 Moderate 0.68
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pld-class Phospholipidosis risk class (1 = positive, 0 = negative) 0 Moderate 0.65
pppb Pig plasma protein binding (% unbound) 97.800 % Moderate 0.68
rat-kpuu-brain Rat brain Kpuu 0.012 % Moderate 0.65
rh-clint Rat hepatocyte intrinsic clearance 1.403 uL/min/10^6 cells Moderate 0.68
rh-fuinc Rat hepatocyte fraction unbound in incubation 98.490 % Moderate 0.68
rppb Rat plasma protein binding (% unbound) 97.520 % Moderate 0.68
solubility-dd Solubility at pH 7.4 in DMSO 903.649 uM Moderate 0.68

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
MeSH PA D000890 Anti-Infective Agents
MeSH PA D000970 Antineoplastic Agents
MeSH PA D000998 Antiviral Agents
MeSH PA D019380 Anti-HIV Agents
MeSH PA D044966 Anti-Retroviral Agents

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 12.25 acidic
pKa2 4.18 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D06255 KEGG_DRUG
C0877874 UMLSCUI
LTT PDB_CHEM_ID
CHEMBL359164 ChEMBL_ID
DB04961 DRUGBANK_ID
454194 PUBCHEM_CID
C074908 MESH_SUPPLEMENTAL_RECORD_UI
7886 INN_ID
60KQZ0388Y UNII
CHEBI:134886 CHEBI

Pharmaceutical products:

None