Compound Detail

CHEMBL3327153

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

CSc1nc2ncnc(NC(P(=O)(O)O)P(=O)(O)O)c2cc1-c1ccc(OC(C)C)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3327153
Phase	Preclinical
Structure Type	MOL
InChI Key	BOUNGEFZSURKKX-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

500.4

MW (Da)

3.25

ALogP

HBA

HBD

175.0

PSA (Å²)

0.23

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 4 meas. best 6.1

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human immunodeficiency virus type 1 reverse transcriptase CHEMBL247	IC50	6.1	5.8625	800.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Human immunodeficiency virus type 1 reverse transcriptase	IC50	=	800.0	nM	6.1	Inhibition of wild type HIV1 reverse transcriptase E89T mutant assessed as inhib...	25144111
Human immunodeficiency virus type 1 reverse transcriptase	IC50	=	1400.0	nM	5.85	Inhibition of wild type HIV1 reverse transcriptase M184V mutant assessed as inhi...	25144111
Human immunodeficiency virus type 1 reverse transcriptase	IC50	=	1800.0	nM	5.75	Inhibition of wild type HIV1 reverse transcriptase assessed as inhibition of DNA...	25144111
Human immunodeficiency virus type 1 reverse transcriptase	IC50	=	1800.0	nM	5.75	Inhibition of wild type HIV1 reverse transcriptase K65R mutant assessed as inhib...	25144111

PubMed	DOI	Target Context	# Activities
25144111	10.1021/jm501010f	Human immunodeficiency virus type 1 reverse transcriptase	7
25144111	10.1021/jm501010f	Farnesyl pyrophosphate synthase	1
25144111	10.1021/jm501010f	Geranylgeranyl pyrophosphate synthase	1

Data from ChEMBL 36 via Core Engine