General
Preferred name
DAPIVIRINE
Synonyms
R147681 ()
TMC120 ()
Dapivirine (TMC120) ()
TMC-120 ()
Gel-02 ()
Dapivirina ()
R-147681 ()
AIDS-105293 ()
P&D ID
PD004257
CAS
244767-67-7
Tags
available
drug candidate
Drug indication
HIV infection
Human immunodeficiency virus infection
Drug Status
investigational
Max Phase
3.0
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION Dapivirine (TMC120), the prototype of diarylpyrimidines (DAPY), is an orally active and nonnucleoside reverse transcriptase inhibitor (NRTI). Dapivirine (TMC120) binds directly to HIV-1 reverse transcriptase. Dapivirine (TMC120) regulates autophagy and induced Akt, Bad and SAPK/JNK activations[1][2].
PRICE 36
DESCRIPTION Dapivirine (R147681) is a diarylpyrimidine non-nucleoside reverse transcriptase inhibitor. (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
5
Compound Sets
12
AdooQ Bioactive Compound Library
A12587
Axon Medchem Screening Library
1534
Cayman Chemical Bioactives
16247
ChEMBL Drugs
CHEMBL70663
Drug Repurposing Hub
DrugBank
DB08639
DrugMAP
DMJPSIL
EU-OPENSCREEN Bioactive Compound Library
EOS100465
MedChem Express Bioactive Compound Library
HY-14266
ReFrame library
Selleckchem Bioactive Compound Library
dapivirine
TargetMol Bioactive Compound Library
T1815
External IDs
30
Properties
(calculated by RDKit )
Molecular Weight
329.16
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
2
Rotatable Bonds
4
Ring Count
3
Aromatic Ring Count
3
cLogP
4.76
TPSA
73.63
Fraction CSP3
0.15
Chiral centers
0.0
Largest ring
6.0
QED
0.72
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Autophagy
Microbiology/virology
Proteases/Proteasome
Anti-infection
Target
CYP3A4, CYP3A5
NNRT inhibitor
HIV
Reverse Transcriptase
HIV reverse transcriptase
MOA
non-nucleoside reverse transcriptase inhibitor
Source data