General
Preferred name
DORAVIRINE
Synonyms
MK-1439 ()
Doravirine (MK-1439) ()
Mk-1439a ()
Pifeltro ()
Doravirine component of delstrigo ()
Doravirina ()
P&D ID
PD056672
CAS
1338225-97-0
Tags
available
drug
Approved by
EMA
PMDA
FDA
First approval
2018
Drug indication
Human immunodeficiency virus infection
HIV-1 infection
Drug Status
approved
investigational
Max Phase
4.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
PHARMACODYNAMICS In a clinical Phase 2 trial evaluating over a dose range of 0.25 to 2 times the recommended dose of doravirine (in combination with emtricitabine/tenofovir) in HIV-1 infected subjects with no antiretroviral treatment history, no exposure-response relationship for efficacy was identified for doravirine [FDA Label].; ; Furthermore, at a dose of 1200 mg, which provides approximately 4 times the peak concentration observed following the recommended dose, doravirine does not prolong the QT interval to any clinically relevant extent [FDA Label].
DESCRIPTION Doravirine (MK-1439) is a highly specific HIV-1 nonnucleoside reverse transcriptase inhibitor with IC50s of 4.5 nM, 5.5 nM and 6.1 nM against the wild type and K103N and Y181C reverse transcriptase mutants, respectively[1].
PRICE 154
DESCRIPTION Doravirine is a non-nucleoside reverse transcriptase inhibitor (NNRTI) class antiretriviral drug. (GtoPdb)
DESCRIPTION Doravirine (MK-1439) is a non-nucleoside reverse transcriptase inhibitor used for the treatment of HIV/AIDS. (TargetMol Bioactive Compound Library)
Cell lines
0
Organisms
1
Compound Sets
17
Cayman Chemical Bioactives
26405
ChEMBL Approved Drugs
CHEMBL2364608
ChEMBL Drugs
CHEMBL2364608
CZ-OPENSCREEN Bioactive Library
Drug Repurposing Hub
DrugBank
DB12301
DrugBank Approved Drugs
DB12301
DrugCentral
5295
DrugCentral Approved Drugs
5295
DrugMAP
DM215WE
DrugMAP Approved Drugs
DM215WE
Guide to Pharmacology
12679
MedChem Express Bioactive Compound Library
HY-16767
NCATS Inxight Approved Drugs
913P6LK81M
ReFrame library
Selleckchem Bioactive Compound Library
doravirine-mk-1439
TargetMol Bioactive Compound Library
T3632
External IDs
28
Properties
(calculated by RDKit )
Molecular Weight
425.05
Hydrogen Bond Acceptors
8
Hydrogen Bond Donors
1
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
3
cLogP
3.07
TPSA
105.96
Fraction CSP3
0.18
Chiral centers
0.0
Largest ring
6.0
QED
0.69
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Target
HIV
HIV-1
Reverse Transcriptase
MOA
non-nucleoside reverse transcriptase inhibitor
Pathway
Microbiology/virology
Proteases/Proteasome
Anti-infection
Source data