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delavirdine 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | PK/Tox | Related Drugs | BioActivity |
| Stem definition | Drug id | CAS RN |
|---|---|---|
| antivirals | 799 | 136817-59-9 |
Description:
| Molecule | Description |
|---|---|
|
Synonyms:
|
A potent, non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1.
Legend: OFP - off patent OFM - off market ONP - on patent |
Drug dosage:
| Dose | Unit | Route |
|---|---|---|
| 1.20 | g | O |
ADMET properties:
| Property | Value | Reference |
|---|---|---|
| BDDCS (Biopharmaceutical Drug Disposition Classification System) | 2 | Benet LZ, Broccatelli F, Oprea TI |
| S (Water solubility) | 0.00 mg/mL | Benet LZ, Broccatelli F, Oprea TI |
| EoM (Fraction excreted unchanged in urine) | 2.50 % | Benet LZ, Broccatelli F, Oprea TI |
| MRTD (Maximum Recommended Therapeutic Daily Dose) | 14.61 µM/kg/day | Contrera JF, Matthews EJ, Kruhlak NL, Benz RD |
| BA (Bioavailability) | 85 % | Kim MT, Sedykh A, Chakravarti SK, Saiakhov RD, Zhu H |
Predicted pharmacokinetic/toxicological properties (PK-AZ):
| Property | Description | Value | Unit | Confidence | Similarity |
|---|---|---|---|---|---|
| azlogd74 | LogD at pH 7.4 | 3.102 | High | 1 | |
| caco2-efflux | Caco-2 efflux ratio (BA/AB) | 8.954 | High | 1 | |
| caco2-intrinsic-papp | Caco-2 intrinsic apparent permeability | 46.345 | 10^-6 cm/s | High | 1 |
| dh-clint | Dog hepatocyte intrinsic clearance | 8.551 | uL/min/10^6 cells | High | 1 |
| dppb | Dog plasma protein binding (% unbound) | 4.430 | % | High | 1 |
| fcs-ppb | Fetal calf serum protein binding (% unbound) | 8.770 | % | High | 1 |
| herg | hERG pIC50 | 5.001 | pIC50 | High | 1 |
| hh-clint | Human hepatocyte intrinsic clearance | 22.699 | uL/min/10^6 cells | High | 1 |
| hlm-clint | Human liver microsomal intrinsic clearance | 199.526 | uL/min/mg protein | High | 1 |
| hppb | Human plasma protein binding (% unbound) | 4.190 | % | High | 1 |
| kinase-safety-class | ACVR2B,AXL,BRAF,CAMK2D,CDK5,CDK9,EIF2AK3,ERBB2,GRK2,ITK,MAPK7,PDK1,PDK2,PIK3CB,PRKDC | 15 | |||
| kinase-selectivity-class | GRK2,PDK1 | 2 | |||
| mdck-mdr1-bcrp-efflux | MDCK-MDR1-BCRP efflux ratio | 4.742 | High | 1 | |
| mdck-mdr1-efflux | MDCK-MDR1 efflux ratio | 19.907 | High | 1 | |
| mh-clint | Mouse hepatocyte intrinsic clearance | 95.499 | High | 1 | |
| mppb | Mouse plasma protein binding (% unbound) | 3.680 | High | 1 | |
| nih-mdck-mdr1-efflux | NIH MDCK-MDR1 efflux ratio | 58.884 | High | 1 | |
| pfas-class | PFAS structural alert (1 = True, 0 = False) | 0 | |||
| pppb | Pig plasma protein binding (% unbound) | 9.900 | % | High | 1 |
| rat-kpuu-brain | Rat brain Kpuu | 0.015 | % | High | 1 |
| rh-clint | Rat hepatocyte intrinsic clearance | 77.446 | uL/min/10^6 cells | High | 1 |
| rh-fuinc | Rat hepatocyte fraction unbound in incubation | 24.530 | % | High | 1 |
| rppb | Rat plasma protein binding (% unbound) | 3.770 | % | High | 1 |
| solubility-dd | Solubility at pH 7.4 in DMSO | 4.150 | uM | High | 1 |
Approvals:
| Date | Agency | Company | Orphan |
|---|---|---|---|
| April 4, 1997 | FDA | VIIV HLTHCARE |
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 | J05AG02 | ANTIINFECTIVES FOR SYSTEMIC USE ANTIVIRALS FOR SYSTEMIC USE DIRECT ACTING ANTIVIRALS Non-nucleoside reverse transcriptase inhibitors |
| FDA MoA | N0000009948 | Non-Nucleoside Reverse Transcriptase Inhibitors |
| FDA EXT | N0000175460 | Non-Nucleoside Analog |
| FDA EPC | N0000175463 | Human Immunodeficiency Virus 1 Non-Nucleoside Analog Reverse Transcriptase Inhibitor |
| 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 |
| MeSH PA | D000890 | Anti-Infective Agents |
| 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 |
Related Drugs by ATC class:
J05AG Non-nucleoside reverse transcriptase inhibitors 5 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 |
| Achlorhydria | contraindication | 47481007 | |
| Disease of liver | contraindication | 235856003 | DOID:409 |
| Breastfeeding (mother) | contraindication | 413712001 |
🐶 Veterinary Drug Use
None
🐶 Veterinary products
None
Acid dissociation constants calculated using MoKa v3.0.0
| Dissociation level | Dissociation constant | Type (acidic/basic) |
|---|---|---|
| pKa1 | 7.46 | acidic |
| pKa2 | 11.02 | acidic |
| pKa3 | 6.04 | 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 |
|---|---|---|---|---|---|---|---|---|---|
| ATP-binding cassette sub-family G member 2 | Transporter | IC50 | 4.73 | CHEMBL | |||||
| Histamine H4 receptor | GPCR | Ki | 5.28 | WOMBAT-PK | |||||
| Malate dehydrogenase cytoplasmic | Enzyme | IC50 | 4.07 | CHEMBL | |||||
| Reverse transcriptase/RNaseH | Enzyme | INHIBITOR | IC50 | 8.10 | CHEMBL | CHEMBL | |||
| Beta-lactamase | Enzyme | IC50 | 4.05 | CHEMBL | |||||
| Gag-Pol polyprotein | Polyprotein | IC50 | 6.50 | WOMBAT-PK | |||||
| Pol polyprotein | Enzyme | IC50 | 8.89 | CHEMBL | |||||
| Reverse transcriptase | Enzyme | IC50 | 5.92 | CHEMBL |
External reference:
| ID | Source |
|---|---|
| 4024051 | VUID |
| N0000022056 | NUI |
| D00895 | KEGG_DRUG |
| 147221-93-0 | SECONDARY_CAS_RN |
| 142152 | RXNORM |
| 4021011 | VANDF |
| 4024051 | VANDF |
| C0288165 | UMLSCUI |
| CHEBI:119573 | CHEBI |
| SPP | PDB_CHEM_ID |
| CHEMBL593 | ChEMBL_ID |
| CHEMBL929 | ChEMBL_ID |
| D020008 | MESH_DESCRIPTOR_UI |
| DB00705 | DRUGBANK_ID |
| 12674 | IUPHAR_LIGAND_ID |
| 7234 | INN_ID |
| DOL5F9JD3E | UNII |
| 5625 | PUBCHEM_CID |
| 4541 | MMSL |
| 8480 | MMSL |
| 9816 | MMSL |
| d04119 | MMSL |
| 006463 | NDDF |
| 006464 | NDDF |
| 108710001 | SNOMEDCT_US |
| 386155009 | SNOMEDCT_US |
| 412169002 | SNOMEDCT_US |
Pharmaceutical products:
None