enocitabine 🐶 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 1012 55726-47-1

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • enocitabine
  • behenoylcytosine arabinoside
  • sunrabin
  • Molecular weight: 565.80
  • Formula: C31H55N3O6
  • CLOGP: 8.54
  • LIPINSKI: 2
  • HAC: 9
  • HDO: 4
  • TPSA: 131.69
  • ALOGS: -5.67
  • ROTB: 23
  • Status: OFP
    • Legend:
    OFP - off patent
    OFM - off market
    ONP - on patent

Drug dosage:

None

ADMET properties:

PropertyValueReference
BA (Bioavailability) 20 %

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 4.958 Moderate 0.71
caco2-efflux Caco-2 efflux ratio (BA/AB) 13.213 Moderate 0.71
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 0.003 10^-6 cm/s Moderate 0.71
dh-clint Dog hepatocyte intrinsic clearance 75.683 uL/min/10^6 cells Moderate 0.71
dppb Dog plasma protein binding (% unbound) 0.070 % Moderate 0.71
fcs-ppb Fetal calf serum protein binding (% unbound) 0.010 % Moderate 0.71
herg hERG pIC50 4.471 pIC50 Moderate 0.71
hh-clint Human hepatocyte intrinsic clearance 120.226 uL/min/10^6 cells Moderate 0.71
hlm-clint Human liver microsomal intrinsic clearance 51.168 uL/min/mg protein Moderate 0.71
hppb Human plasma protein binding (% unbound) 0.290 % Moderate 0.71
kinase-safety-class ACVR2A,ACVR2B,AURKA,AXL,BRAF,BTK,CAMK2B,CAMK2D,CDK4,CDK5,CDK9,DDR1,DYRK1B,EGFR,EIF2AK3,EPHB4,ERBB2,FLT3,GRK2,GSK3B,IKBKB,ITK,JAK2,JAK3,MAP2K6,MAP3K21,MAP3K7,MAPK10,MAPK7,MAPKAPK2,NTRK2,PDK1,PDK2,PDK4,PIK3CB,PIK3CG,PIM2,PRKDC,SIK2,SIK3,STK33,SYK,TEK,TGFBR1,ZAP70 45
kinase-selectivity-class AXL,CDK4,EIF2AK3,EPHB4,GRK2,INSR,MAP2K6,MAPK8,PLK1,PTK2,STK33,TEK,ZAP70 13
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 0.832 Moderate 0.71
mh-clint Mouse hepatocyte intrinsic clearance 43.152 Moderate 0.71
mppb Mouse plasma protein binding (% unbound) 0.090 Moderate 0.71
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 0.082 Moderate 0.71
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 0.060 % Moderate 0.71
rh-clint Rat hepatocyte intrinsic clearance 29.992 uL/min/10^6 cells Moderate 0.71
rh-fuinc Rat hepatocyte fraction unbound in incubation 0.010 % Moderate 0.71
rppb Rat plasma protein binding (% unbound) 0.140 % Moderate 0.71
solubility-dd Solubility at pH 7.4 in DMSO 0.318 uM Moderate 0.71

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
FDA MoA N0000000233 Nucleic Acid Synthesis Inhibitors
MeSH PA D000890 Anti-Infective Agents
MeSH PA D000970 Antineoplastic Agents
MeSH PA D000998 Antiviral Agents
MeSH PA D000963 Antimetabolites
MeSH PA D000964 Antimetabolites, Antineoplastic
MeSH PA D007155 Immunologic Factors
MeSH PA D007166 Immunosuppressive Agents
FDA EPC N0000175595 Nucleoside Metabolic Inhibitor
CHEBI has role CHEBI:22587 antiviral agent
CHEBI has role CHEBI:35221 antimetabolite
CHEBI has role CHEBI:35610 antineoplastic agent
CHEBI has role CHEBI:35705 immunosuppressive agent
CHEBI has role CHEBI:38068 antimalarial
CHEBI has role CHEBI:50249 anticoagulant
CHEBI has role CHEBI:67079 anti-inflammatory agent
CHEBI has role CHEBI:75835 anti-anaemic agent
CHEBI has role CHEBI:233423 antifibrotic agent

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 11.91 acidic
pKa2 12.42 acidic
pKa3 12.58 acidic
pKa4 13.11 acidic
pKa5 1.62 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D01633 KEGG_DRUG
4018080 VANDF
C0059364 UMLSCUI
CHEBI:31537 CHEBI
AR3 PDB_CHEM_ID
CHEMBL2106589 ChEMBL_ID
C015019 MESH_SUPPLEMENTAL_RECORD_UI
5121 INN_ID
9YVR68W306 UNII
71734 PUBCHEM_CID
3041 RXNORM
372 MMSL
4526 MMSL
d00201 MMSL
002649 NDDF
010917 NDDF
387511003 SNOMEDCT_US
89265009 SNOMEDCT_US
C0010711 UMLSCUI
DB00987 DRUGBANK_ID
6253 PUBCHEM_CID
1709 INN_ID
D003561 MESH_DESCRIPTOR_UI
CHEBI:28680 CHEBI

Pharmaceutical products:

None