Compound Detail

CHEMBL4795806

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C(=C/c1n[nH]c2ccc(NCc3ccccc3)cc12)\c1ccccn1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4795806
Phase	Preclinical
Structure Type	MOL
InChI Key	MYNCTXHNZVXWKX-PKNBQFBNSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

326.4

MW (Da)

4.74

ALogP

HBA

HBD

53.6

PSA (Å²)

0.56

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.96

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
BDNF/NT-3 growth factors receptor CHEMBL4898	IC50	8.96	8.96	1.1	1
High affinity nerve growth factor receptor CHEMBL2815	IC50	7.97	7.97	10.6	1
NT-3 growth factor receptor CHEMBL5608	IC50	7.88	7.88	13.2	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
BDNF/NT-3 growth factors receptor	IC50	=	1.1	nM	8.96	Inhibition of TrkB (unknown origin) using Tyr1 peptide as substrate in presence ...	32702585
High affinity nerve growth factor receptor	IC50	=	10.6	nM	7.97	Inhibition of TrkA (unknown origin) using Tyr1 peptide as substrate in presence ...	32702585
NT-3 growth factor receptor	IC50	=	13.2	nM	7.88	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