ibacitabine 🐶 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 4572 611-53-0

Description:

MoleculeDescription

Molfile Inchi Smiles

Synonyms:

  • ibacitabine
  • iododeoxycytidine
  • Molecular weight: 353.12
  • Formula: C9H12IN3O4
  • CLOGP: -0.67
  • LIPINSKI: 0
  • HAC: 7
  • HDO: 3
  • TPSA: 108.38
  • ALOGS: -2.03
  • ROTB: 2

Drug dosage:

None

ADMET properties:

None

Predicted pharmacokinetic/toxicological properties (PK-AZ):

PropertyDescriptionValueUnitConfidenceSimilarity
azlogd74 LogD at pH 7.4 -0.422 Moderate 0.65
caco2-efflux Caco-2 efflux ratio (BA/AB) 6.607 Moderate 0.65
caco2-intrinsic-papp Caco-2 intrinsic apparent permeability 1.897 10^-6 cm/s Moderate 0.65
dh-clint Dog hepatocyte intrinsic clearance 1.067 uL/min/10^6 cells Moderate 0.65
dppb Dog plasma protein binding (% unbound) 83.840 % Moderate 0.65
fcs-ppb Fetal calf serum protein binding (% unbound) 86.290 % Moderate 0.65
herg hERG pIC50 3.695 pIC50 Moderate 0.65
hh-clint Human hepatocyte intrinsic clearance 0.984 uL/min/10^6 cells Moderate 0.65
hlm-clint Human liver microsomal intrinsic clearance 3.133 uL/min/mg protein Moderate 0.65
hppb Human plasma protein binding (% unbound) 78.170 % Moderate 0.65
kinase-safety-class ACVR2B,AXL,BRAF,CAMK2D,CDK5,CDK9,DYRK1B,EIF2AK3,ERBB2,GRK2,ITK,MAP2K6,MAP3K21,MAPK10,MAPK7,NTRK2,PDK1,PDK2,PIK3CD,PRKDC,TEK 21
kinase-selectivity-class GRK2,MAP2K6,PDK1 3
mdck-mdr1-efflux MDCK-MDR1 efflux ratio 2.355 Moderate 0.65
mh-clint Mouse hepatocyte intrinsic clearance 1.637 Moderate 0.65
mppb Mouse plasma protein binding (% unbound) 88.980 Moderate 0.65
nih-mdck-mdr1-efflux NIH MDCK-MDR1 efflux ratio 1.959 Moderate 0.65
pfas-class PFAS structural alert (1 = True, 0 = False) 0
pppb Pig plasma protein binding (% unbound) 88.680 % Moderate 0.65
rh-clint Rat hepatocyte intrinsic clearance 1.340 uL/min/10^6 cells Moderate 0.65
rh-fuinc Rat hepatocyte fraction unbound in incubation 95.780 % Moderate 0.65
rppb Rat plasma protein binding (% unbound) 81.400 % Moderate 0.65
solubility-dd Solubility at pH 7.4 in DMSO 948.418 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 D06BB08 DERMATOLOGICALS
ANTIBIOTICS AND CHEMOTHERAPEUTICS FOR DERMATOLOGICAL USE
CHEMOTHERAPEUTICS FOR TOPICAL USE
Antivirals
MeSH PA D000890 Anti-Infective Agents
MeSH PA D000998 Antiviral Agents
CHEBI has role CHEBI:22587 antiviral agent

Related Drugs by ATC class:

D06BB Antivirals 11 drugs
acyclovirberdazimerdocosanoledoxudineidoxuridineimiquimodinosinepenciclovirpodophyllotoxinsinecatechinstromantadine

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 12.59 acidic
pKa2 13.34 acidic
pKa3 4.0 Basic

Orange Book patent data (new drug applications)

None

Orange Book exclusivity data (new drug applications)

None

Bioactivity Summary:

None

External reference:

IDSource
D07200 KEGG_DRUG
CHEBI:135996 CHEBI
CHEMBL2104340 ChEMBL_ID
C011288 MESH_SUPPLEMENTAL_RECORD_UI
5989 INN_ID
DB13776 DRUGBANK_ID
3EK8532DZV UNII
005256 NDDF
16261000122100 SNOMEDCT_US
C0049263 UMLSCUI
65050 PUBCHEM_CID

Pharmaceutical products:

None