Compound Detail

CHEMBL3646220

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O=C(O)CNC(=O)c1ncc(-c2ccc(Cl)cc2)cc1O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3646220
Phase	Preclinical
Structure Type	MOL
InChI Key	DLUPTLSWWQTJFJ-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

306.7

MW (Da)

1.92

ALogP

HBA

HBD

99.5

PSA (Å²)

0.80

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 9 meas. best 7.08

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Prolyl hydroxylase EGLN3 CHEMBL5705	IC50	7.08	7.08	83.0	4
Egl nine homolog 1 CHEMBL5697	IC50	6.62	6.468	240.0	5

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Prolyl hydroxylase EGLN3	IC50	=	83.0	nM	7.08	Mass Spectrometry Assay : The EGLN-1 (or EGLN-3) enzyme activity is determined u...	-
Prolyl hydroxylase EGLN3	IC50	=	83.0	nM	7.08	Enzyme Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined using mass sp...	-
Prolyl hydroxylase EGLN3	IC50	=	83.0	nM	7.08	ELISA Assay: HEK293 cells are seeded in 96-well poly-lysine coated plates at 20,...	-
Prolyl hydroxylase EGLN3	IC50	=	83.0	nM	7.08	EGLN-1 Activity Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined usin...	-
Egl nine homolog 1	IC50	=	240.0	nM	6.62	Enzyme Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined using mass sp...	-
Egl nine homolog 1	IC50	=	240.0	nM	6.62	Mass Spectrometry Assay : The EGLN-1 (or EGLN-3) enzyme activity is determined u...	-
Egl nine homolog 1	IC50	=	240.0	nM	6.62	Activity Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined using mass ...	-
Egl nine homolog 1	IC50	=	240.0	nM	6.62	EGLN-1 Activity Assay: The EGLN-1 (or EGLN-3) enzyme activity is determined usin...	-
Egl nine homolog 1	IC50	=	1385.0	nM	5.86	EGLN-1 Activity Assay : The EGLN-1 (or EGLN-3) enzyme activity is determined usi...	-

Data from ChEMBL 36 via Core Engine