Compound Detail

CHEMBL4799455

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Fc1cc(F)cc(-c2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4799455
Phase	Preclinical
Structure Type	MOL
InChI Key	QUOOWHZYYXJNSD-FNORWQNLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

333.3

MW (Da)

5.07

ALogP

HBA

HBD

41.6

PSA (Å²)

0.57

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 6.6

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
High affinity nerve growth factor receptor CHEMBL2815	IC50	6.6	6.6	253.6	1
NT-3 growth factor receptor CHEMBL5608	IC50	6.27	6.27	533.9	1
BDNF/NT-3 growth factors receptor CHEMBL4898	IC50	6.14	6.14	728.8	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
High affinity nerve growth factor receptor	IC50	=	253.6	nM	6.6	Inhibition of TrkA (unknown origin) using Tyr1 peptide as substrate in presence ...	32702585
NT-3 growth factor receptor	IC50	=	533.9	nM	6.27	Inhibition of TrkC (unknown origin) using Tyr1 peptide as substrate in presence ...	32702585
BDNF/NT-3 growth factors receptor	IC50	=	728.8	nM	6.14	Inhibition of TrkB (unknown origin) using Tyr1 peptide as substrate in presence ...	32702585

PubMed	DOI	Target Context	# Activities
32702585	10.1016/j.ejmech.2020.112552	High affinity nerve growth factor receptor	1
32702585	10.1016/j.ejmech.2020.112552	BDNF/NT-3 growth factors receptor	1
32702585	10.1016/j.ejmech.2020.112552	NT-3 growth factor receptor	1

Data from ChEMBL 36 via Core Engine