Compound Detail

CHEMBL4780099

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C[C@H](Nc1ccc2[nH]nc(/C=C/c3ccccn3)c2c1)c1cc(F)cc(F)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4780099
Phase	Preclinical
Structure Type	MOL
InChI Key	ZHOXAGNPCZTRBN-DYLGSBMWSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

376.4

MW (Da)

5.58

ALogP

HBA

HBD

53.6

PSA (Å²)

0.48

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 7.75

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
High affinity nerve growth factor receptor CHEMBL2815	IC50	7.75	7.75	17.8	1
BDNF/NT-3 growth factors receptor CHEMBL4898	IC50	7.65	7.65	22.2	1
NT-3 growth factor receptor CHEMBL5608	IC50	7.52	7.52	30.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
High affinity nerve growth factor receptor	IC50	=	17.8	nM	7.75	Inhibition of TrkA (unknown origin) using Tyr1 peptide as substrate in presence ...	32702585
BDNF/NT-3 growth factors receptor	IC50	=	22.2	nM	7.65	Inhibition of TrkB (unknown origin) using Tyr1 peptide as substrate in presence ...	32702585
NT-3 growth factor receptor	IC50	=	30.0	nM	7.52	Inhibition of TrkC (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