Compound Detail

CHEMBL5891353

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O=C1NCCOc2ncc(F)cc2[C@H]2COC(=O)N2c2ccn3ncc1c3n2

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL5891353
Phase	Preclinical
Structure Type	MOL
InChI Key	AUKMEGMHUKYHDU-GFCCVEGCSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

384.3

MW (Da)

1.08

ALogP

HBA

HBD

111.0

PSA (Å²)

0.62

QED

Ro5 Violations

Rot. Bonds

Availability	Unknown
Chirality	Unknown

First in Class Prodrug

IC50 6 meas. best 5.81

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
High affinity nerve growth factor receptor CHEMBL2815	IC50	5.81	5.81	1550.0	6

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
High affinity nerve growth factor receptor	IC50	=	1550.0	nM	5.81	TrkA Elisa Enzyme Assay: An enzyme-linked immunosorbant assay (ELISA) was used t...	-
High affinity nerve growth factor receptor	IC50	=	1550.0	nM	5.81	TrkA Binding Assay: The ability of a compound to bind to TrkA was measured by In...	-
High affinity nerve growth factor receptor	IC50	=	1550.0	nM	5.81	ELISA Assay: An enzyme-linked immunosorbant assay (ELISA) was used to assess Trk...	-
High affinity nerve growth factor receptor	IC50	=	1550.0	nM	5.81	Binding Assay: The ability of a compound to bind to TrkA was measured by Invitro...	-
High affinity nerve growth factor receptor	IC50	=	1550.0	nM	5.81	ELISA Assay: An enzyme-linked immunosorbant assay (ELISA) was used to assess Trk...	-
High affinity nerve growth factor receptor	IC50	=	1550.0	nM	5.81	Binding Assay: The ability of a compound to bind to TrkA was measured by Invitro...	-

Data from ChEMBL 36 via Core Engine