Compound Detail

CHEMBL1956084

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Cc1c(C(C)c2c(F)cccc2F)nc(Nc2ccc(C#N)cc2)[nH]c1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1956084
Phase	Preclinical
Structure Type	MOL
InChI Key	NHXKNIXQCGGNKE-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

366.4

MW (Da)

4.12

ALogP

HBA

HBD

81.6

PSA (Å²)

0.73

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 8.54

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human immunodeficiency virus 1 CHEMBL378	EC50	8.54	7.4325	2.9	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human immunodeficiency virus 1	EC50	=	2.9	nM	8.54	Antiviral activity against wild type HIV 1 NL4-3 infected in human MT4 cells ass...	21438533
Human immunodeficiency virus 1	EC50	=	45.58	nM	7.34	Antiviral activity against HIV 1 harboring reverse transcriptase Y181C mutant in...	21438533
Human immunodeficiency virus 1	EC50	=	61.14	nM	7.21	Antiviral activity against HIV 1 harboring reverse transcriptase K103N mutant in...	21438533
Human immunodeficiency virus 1	EC50	=	230.4	nM	6.64	Antiviral activity against HIV 1 harboring reverse transcriptase Y188L mutant in...	21438533

PubMed	DOI	Target Context	# Activities
21438533	10.1021/jm101626c	Human immunodeficiency virus 1	7
21438533	10.1021/jm101626c	Unchecked	5
21438533	10.1021/jm101626c	Human immunodeficiency virus type 1 reverse transcriptase	5
21438533	10.1021/jm101626c	MT4	1

Data from ChEMBL 36 via Core Engine