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zalcitabine 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| nucleosides antiviral or antineoplastic agents, cytarabine or azacitidine derivatives | 2856 | 7481-89-2 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
A dideoxynucleoside compound in which the 3'-hydroxy group on the sugar moiety has been replaced by a hydrogen. This modification prevents the formation of phosphodiester linkages which are needed for the completion of nucleic acid chains. The compound is a potent inhibitor of HIV replication at low concentrations, acting as a chain-terminator of viral DNA by binding to reverse transcriptase. Its principal toxic side effect is axonal degeneration resulting in peripheral neuropathy.
Legend: OFP - off patent OFM - off market ONP - on patent |
Drug dosage:
| Dose | Unit | Route |
|---|---|---|
| 2.25 | mg | O |
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 3 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 76.40 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 65 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 0.15 µM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 88 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
| Vd (Volume of distribution) | 0.54 L/kg | Lombardo F, Berellini G, Obach RS |
| CL (Clearance) | 5.60 mL/min/kg | Lombardo F, Berellini G, Obach RS |
| fu (Fraction unbound in plasma) | 0.96 % | 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):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | -1.270 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 3.041 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 2.512 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 1.216 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 90.760 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 92.210 | % | High | 1 |
| herg | hERG pIC50 | 3.416 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 1.225 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 3.428 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 85.220 | % | High | 1 |
| kinase-safety-class | ACVR2B,CDK5,EIF2AK3,GRK2,ITK,PDK1,PDK2,PRKDC | 8 | |||
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 1.923 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 1.125 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 96.780 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 1.225 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 96.030 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 1.279 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 97.400 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 93.490 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 879.023 | uM | High | 1 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| June 19, 1992 | FDA | ROCHE |
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:
| Source | Code | Description |
|---|---|---|
| ATC | J05AF03 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIVIRALS FOR SYSTEMIC USE DIRECT ACTING ANTIVIRALS Nucleoside and nucleotide reverse transcriptase inhibitors |
| MeSH PA | D000890 | Anti-Infective Agents |
| MeSH PA | D000963 | Antimetabolites |
| MeSH PA | D000998 | Antiviral Agents |
| MeSH PA | D004791 | Enzyme Inhibitors |
| MeSH PA | D018894 | Reverse Transcriptase Inhibitors |
| MeSH PA | D019380 | Anti-HIV Agents |
| MeSH PA | D019384 | Nucleic Acid Synthesis Inhibitors |
| CHEBI has role | CHEBI:22587 | antiviral agent |
| CHEBI has role | CHEBI:35221 | antimetabolite |
| CHEBI has role | CHEBI:36044 | antiviral drug |
| CHEBI has role | CHEBI:53756 | HIV-1 reverse transcriptase inhibitor |
| CHEBI has role | CHEBI:64946 | anti-HIV agent |
Related Drugs by ATC class:
J05AF Nucleoside and nucleotide reverse transcriptase inhibitors 12 drugs
Drug Use | Suggest Off label Use Form| |View source of the data|
| Disease | Relation | SNOMED_ID | DOID |
|---|---|---|---|
| Human immunodeficiency virus infection | indication | 86406008 | DOID:526 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 13.13 | acidic |
| pKa2 | 4.25 | Basic |
Orange Book patent data (new drug applications)
None
Orange Book exclusivity data (new drug applications)
None
Bioactivity Summary:
| Target | Class | Pharos | UniProt | Action | Type | Activity value (-log[M]) | Mechanism action | Bioact source | MoA source |
|---|---|---|---|---|---|---|---|---|---|
| Deoxycytidine kinase | Kinase | WOMBAT-PK | |||||||
| Reverse transcriptase/RNaseH | Enzyme | INHIBITOR | Ki | 7.29 | CHEMBL | CHEMBL |
External reference:
| ID | Source |
|---|---|
| 4023282 | VUID |
| N0000148230 | NUI |
| D00412 | KEGG_DRUG |
| 4020505 | VANDF |
| 4023282 | VANDF |
| C0012132 | UMLSCUI |
| CHEBI:10101 | CHEBI |
| CHEMBL853 | ChEMBL_ID |
| DB00943 | DRUGBANK_ID |
| D016047 | MESH_DESCRIPTOR_UI |
| 24066 | PUBCHEM_CID |
| 4828 | IUPHAR_LIGAND_ID |
| 6871 | INN_ID |
| 6L3XT8CB3I | UNII |
| 196461 | RXNORM |
| 5702 | MMSL |
| 810 | MMSL |
| d00127 | MMSL |
| 003661 | NDDF |
| 34693000 | SNOMEDCT_US |
| 387187000 | SNOMEDCT_US |
Pharmaceutical products:
None