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Details

Stereochemistry ACHIRAL
Molecular Formula C20H13Cl2N5O2
Molecular Weight 426.256
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of MK-4965

SMILES

NC1=CC=C2C(COC3=CC=C(Cl)C(OC4=CC(=CC(Cl)=C4)C#N)=C3)=NNC2=N1

InChI

InChIKey=KXDIHAQCVNNLIB-UHFFFAOYSA-N
InChI=1S/C20H13Cl2N5O2/c21-12-5-11(9-23)6-14(7-12)29-18-8-13(1-3-16(18)22)28-10-17-15-2-4-19(24)25-20(15)27-26-17/h1-8H,10H2,(H3,24,25,26,27)

HIDE SMILES / InChI

Molecular Formula C20H13Cl2N5O2
Molecular Weight 426.256
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

PubMed

PubMed

TitleDatePubMed
Design and synthesis of conformationally constrained inhibitors of non-nucleoside reverse transcriptase.
2011-11-24
Looking for an active conformation of the future HIV type-1 non-nucleoside reverse transcriptase inhibitors.
2010-08-11
Antiviral activity of MK-4965, a novel nonnucleoside reverse transcriptase inhibitor.
2009-06
Discovery of 3-{5-[(6-amino-1H-pyrazolo[3,4-b]pyridine-3-yl)methoxy]-2-chlorophenoxy}-5-chlorobenzonitrile (MK-4965): a potent, orally bioavailable HIV-1 non-nucleoside reverse transcriptase inhibitor with improved potency against key mutant viruses.
2008-10-23
Patents
Substance Class Chemical
Created
by admin
on Mon Mar 31 21:04:49 GMT 2025
Edited
by admin
on Mon Mar 31 21:04:49 GMT 2025
Record UNII
Z8856WDK9S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
BENZONITRILE, 3-(5-((6-AMINO-1H-PYRAZOLO(3,4-B)PYRIDIN-3-YL)METHOXY)-2-CHLOROPHENOXY)-5-CHLORO-
Preferred Name English
MK-4965
Common Name English
Code System Code Type Description
PUBCHEM
16045418
Created by admin on Mon Mar 31 21:04:49 GMT 2025 , Edited by admin on Mon Mar 31 21:04:49 GMT 2025
PRIMARY
DRUG BANK
DB08460
Created by admin on Mon Mar 31 21:04:49 GMT 2025 , Edited by admin on Mon Mar 31 21:04:49 GMT 2025
PRIMARY
FDA UNII
Z8856WDK9S
Created by admin on Mon Mar 31 21:04:49 GMT 2025 , Edited by admin on Mon Mar 31 21:04:49 GMT 2025
PRIMARY
SMS_ID
300000051229
Created by admin on Mon Mar 31 21:04:49 GMT 2025 , Edited by admin on Mon Mar 31 21:04:49 GMT 2025
PRIMARY
CAS
920035-77-4
Created by admin on Mon Mar 31 21:04:49 GMT 2025 , Edited by admin on Mon Mar 31 21:04:49 GMT 2025
PRIMARY
Related Record Type Details
ACTIVE MOIETY