Compound Detail

CHEMBL4445796

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Cn1c(Nc2cccc(-c3cncnc3)c2)cc(=O)n(O)c1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4445796
Phase	Preclinical
Structure Type	MOL
InChI Key	VUPOVUBXSSFCFO-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

311.3

MW (Da)

0.98

ALogP

HBA

HBD

102.0

PSA (Å²)

0.70

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.05

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247	IC50	6.05	5.675	900.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human immunodeficiency virus type 1 reverse transcriptase	IC50	=	900.0	nM	6.05	Inhibition of re-constituted HIV1 reverse transcriptase RNase H domain fragment	26927866
Human immunodeficiency virus type 1 reverse transcriptase	IC50	=	1400.0	nM	5.85	Inhibition of RNase H activity of full length recombinant HIV1 reverse transcrip...	26927866
Human immunodeficiency virus type 1 reverse transcriptase	IC50	=	3900.0	nM	5.41	Inhibition of RNase H activity of full length recombinant HIV1 reverse transcrip...	26927866
Human immunodeficiency virus type 1 reverse transcriptase	IC50	=	4100.0	nM	5.39	Inhibition of RNase H activity of full length recombinant HIV1 reverse transcrip...	26927866

PubMed	DOI	Target Context	# Activities
26927866	10.1021/acs.jmedchem.5b01879	Human immunodeficiency virus type 1 reverse transcriptase	6
26927866	10.1021/acs.jmedchem.5b01879	Unchecked	1

Data from ChEMBL 36 via Core Engine