Compound Detail

CHEMBL491538

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NC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2[nH]c1=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL491538
Phase	Preclinical
Structure Type	MOL
InChI Key	VFRFSNWOJFIQFA-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

313.3

MW (Da)

1.46

ALogP

HBA

HBD

109.1

PSA (Å²)

0.68

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 6 meas. best 7.35

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Human immunodeficiency virus type 1 integrase CHEMBL3471	IC50	7.35	7.35	45.0	1
Unchecked CHEMBL612545	IC50	7.35	7.35	45.0	1
Human immunodeficiency virus CHEMBL613758	IC50	7.18	6.68	66.0	4

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Unchecked	IC50	=	45.0	nM	7.35	Inhibition of HIV recombinant integrase strand transfer assay	19374386
Human immunodeficiency virus type 1 integrase	IC50	=	45.0	nM	7.35	Inhibition of HIV1 integrase strand transfer activity	23245515
Human immunodeficiency virus	IC50	=	66.0	nM	7.18	Antiviral activity against pseudotype HIV after 2 days in absence of human serum...	19374386
Human immunodeficiency virus	IC50	=	66.0	nM	7.18	Antiviral activity against HIV	23245515
Human immunodeficiency virus	IC50	=	656.0	nM	6.18	Antiviral activity against pseudotype HIV after 2 days in presence 40 mg/mL huma...	19374386
Human immunodeficiency virus	IC50	=	660.0	nM	6.18	Antiviral activity against HIV in presence of 40 mg/mL of purified human serum a...	23245515

PubMed	DOI	Target Context	# Activities
19374386	10.1021/jm801404b	Human immunodeficiency virus	3
23245515	10.1016/j.bmcl.2012.11.071	Human immunodeficiency virus	2
19374386	10.1021/jm801404b	Unchecked	1
23245515	10.1016/j.bmcl.2012.11.071	Human immunodeficiency virus type 1 integrase	1

Data from ChEMBL 36 via Core Engine