Compound Detail

CHEMBL4800162

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Fc1cc(F)cc(CCc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4800162
Phase	Preclinical
Structure Type	MOL
InChI Key	QTSGFRRREQFWGK-VQHVLOKHSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

361.4

MW (Da)

5.19

ALogP

HBA

HBD

41.6

PSA (Å²)

0.53

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.43

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
High affinity nerve growth factor receptor CHEMBL2815	IC50	8.43	8.43	3.7	1
BDNF/NT-3 growth factors receptor CHEMBL4898	IC50	8.07	8.07	8.5	1
NT-3 growth factor receptor CHEMBL5608	IC50	7.91	7.91	12.4	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
High affinity nerve growth factor receptor	IC50	=	3.7	nM	8.43	Inhibition of TrkA (unknown origin) using Tyr1 peptide as substrate in presence ...	32702585
BDNF/NT-3 growth factors receptor	IC50	=	8.5	nM	8.07	Inhibition of TrkB (unknown origin) using Tyr1 peptide as substrate in presence ...	32702585
NT-3 growth factor receptor	IC50	=	12.4	nM	7.91	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