delavirdine 🐶 Veterinary Use | Indications/Contra | FAERs-F | FAERs-M | Orange Bk | BioActivity |

Stem definition	Drug id	CAS RN
antivirals	799	136817-59-9

Description:

Molecule

Description

Molfile Inchi Smiles

Synonyms:

delavirdine
delavirdine mesylate
delavirdine mesilate
rescriptor

A potent, non-nucleoside reverse transcriptase inhibitor with activity specific for HIV-1.

Molecular weight: 456.57
Formula: C22H28N6O3S
CLOGP: 3.03
LIPINSKI: 0
HAC: 9
HDO: 3
TPSA: 110.43
ALOGS: -3.73
ROTB: 5

Status: OFM

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

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 drugs
CHEBI has role	CHEBI:53756	reverse transcriptase inhibitors
MeSH PA	D019380	Anti-HIV Agents
MeSH PA	D000890	Anti-Infective Agents
MeSH PA	D044966	Anti-Retroviral Agents
MeSH PA	D000998	Antiviral Agents
MeSH PA	D004791	Enzyme Inhibitors
MeSH PA	D019384	Nucleic Acid Synthesis Inhibitors
MeSH PA	D018894	Reverse Transcriptase Inhibitors

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	Q9UNQ0	ABCG2_HUMAN		IC50	4.73		CHEMBL
Histamine H4 receptor	GPCR	Q9H3N8	HRH4_HUMAN		Ki	5.28		WOMBAT-PK
Malate dehydrogenase cytoplasmic	Enzyme	P40925	MDHC_HUMAN		IC50	4.07		CHEMBL
Reverse transcriptase/RNaseH	Enzyme		Q72547_9HIV1	INHIBITOR	IC50	8.10		CHEMBL	CHEMBL
Beta-lactamase	Enzyme		AMPC_ECOLI		IC50	4.05		CHEMBL
Reverse transcriptase	Enzyme		Q9WKE8_9HIV1		IC50	5.92		CHEMBL
Gag-Pol polyprotein	Polyprotein		POL_HV1A2		IC50	6.50		WOMBAT-PK

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