Compound Detail

CHEMBL216683

Enter ChEMBL ID:

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

CN1CCOCC1c1nc(O)c(O)c(C(=O)NCc2ccc(F)cc2)n1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL216683
Phase	Preclinical
Structure Type	MOL
InChI Key	BGXZYEOFLCTRQZ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

362.4

MW (Da)

0.96

ALogP

HBA

HBD

107.8

PSA (Å²)

0.74

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Unchecked CHEMBL612545	IC50	8.0	7.76	10.0	2
Human immunodeficiency virus type 1 integrase CHEMBL3471	IC50	7.52	7.52	30.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	10.0	nM	8.0	Inhibition of recombinant HIV1 integrase strand transfer activity	18217703
Unchecked	IC50	=	30.0	nM	7.52	Inhibition of HIV1 integrase strand transfer activity	17428043
Human immunodeficiency virus type 1 integrase	IC50	=	30.0	nM	7.52	Inhibition of HIV integrase activity by HIV strand transfer assay	17824681

PubMed	DOI	Target Context	# Activities
17154493	10.1021/jm060854f	Human immunodeficiency virus	2
17428043	10.1021/jm070027u	Human immunodeficiency virus 1	2
17824681	10.1021/jm0704705	Human immunodeficiency virus 1	2
18217703	10.1021/jm701164t	Human immunodeficiency virus 1	2
17428043	10.1021/jm070027u	Unchecked	1
17824681	10.1021/jm0704705	Human immunodeficiency virus type 1 integrase	1
18217703	10.1021/jm701164t	Unchecked	1

Data from ChEMBL 36 via Core Engine