Compound Detail

CHEMBL4438951

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Cn1c(Nc2cccc(-c3ccc(C#N)cc3)c2)cc(=O)n(O)c1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4438951
Phase	Preclinical
Structure Type	MOL
InChI Key	ZTELEPNLOCMRSV-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

334.3

MW (Da)

2.07

ALogP

HBA

HBD

100.0

PSA (Å²)

0.71

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 6.16

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247	IC50	6.16	5.714	700.0	5

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human immunodeficiency virus type 1 reverse transcriptase	IC50	=	700.0	nM	6.16	Inhibition of RNase H activity of full length recombinant HIV1 reverse transcrip...	26927866
Human immunodeficiency virus type 1 reverse transcriptase	IC50	=	1000.0	nM	6.0	Inhibition of re-constituted HIV1 reverse transcriptase RNase H domain fragment	26927866
Human immunodeficiency virus type 1 reverse transcriptase	IC50	=	2300.0	nM	5.64	Inhibition of RNase H activity of full length recombinant HIV1 reverse transcrip...	26927866
Human immunodeficiency virus type 1 reverse transcriptase	IC50	=	3400.0	nM	5.47	Inhibition of RNase H activity of full length recombinant HIV1 reverse transcrip...	26927866
Human immunodeficiency virus type 1 reverse transcriptase	IC50	=	5000.0	nM	5.3	Inhibition of polymerase activity of HIV1 reverse transcriptase using poly(rA)-o...	26927866

PubMed	DOI	Target Context	# Activities
26927866	10.1021/acs.jmedchem.5b01879	Human immunodeficiency virus type 1 reverse transcriptase	5
26927866	10.1021/acs.jmedchem.5b01879	Unchecked	1

Data from ChEMBL 36 via Core Engine