Compound Detail

CHEMBL4800232

Enter ChEMBL ID:

Free Research Context This compound will appear in recent viewed items on the research home for this browser.

COc1cc(F)cc(CNc2ccc3[nH]nc(/C=C/c4ccccn4)c3c2)c1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4800232
Phase	Preclinical
Structure Type	MOL
InChI Key	WIVNLRJLMBFTMY-FNORWQNLSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

374.4

MW (Da)

4.89

ALogP

HBA

HBD

62.8

PSA (Å²)

0.50

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 3 meas. best 8.51

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
High affinity nerve growth factor receptor CHEMBL2815	IC50	8.51	8.51	3.1	1
NT-3 growth factor receptor CHEMBL5608	IC50	8.12	8.12	7.5	1
BDNF/NT-3 growth factors receptor CHEMBL4898	IC50	7.57	7.57	26.7	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
High affinity nerve growth factor receptor	IC50	=	3.1	nM	8.51	Inhibition of TrkA (unknown origin) using Tyr1 peptide as substrate in presence ...	32702585
NT-3 growth factor receptor	IC50	=	7.5	nM	8.12	Inhibition of TrkC (unknown origin) using Tyr1 peptide as substrate in presence ...	32702585
BDNF/NT-3 growth factors receptor	IC50	=	26.7	nM	7.57	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