Compound Detail

CHEMBL4785076

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Cl.N=C(N)N/N=C/c1ccc(-c2ccccc2C(F)(F)F)o1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL4785076
Phase	Preclinical
Structure Type	MOL
InChI Key	PERQEXSBEQMUKF-YRQQTYEQSA-N
Parent Compound	CHEMBL574565
Active Moiety	CHEMBL574565

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

296.2

MW (Da)

2.78

ALogP

HBA

HBD

87.4

PSA (Å²)

0.46

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 4 meas. best 7.0

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Neuropeptide FF receptor 2 CHEMBL5952	EC50	7.0	6.25	100.0	2
Neuropeptide FF receptor 1 CHEMBL5951	EC50	6.6	6.25	251.2	2

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Neuropeptide FF receptor 2	EC50	=	100.0	nM	7.0	Agonist activity at NPFFR2 (unknown origin) expressed in mouse NIH3T3 cells by r...	32673481
Neuropeptide FF receptor 1	EC50	=	251.19	nM	6.6	Agonist activity at NPFFR1 (unknown origin) expressed in mouse NIH3T3 cells by r...	32673481
Neuropeptide FF receptor 1	EC50	=	1258.93	nM	5.9	Agonist activity at NPFFR1 (unknown origin) expressed in HEK293T cells harboring...	32673481
Neuropeptide FF receptor 2	EC50	=	3162.28	nM	5.5	Agonist activity at NPFFR2 (unknown origin) expressed in HEK293T cells harboring...	32673481

PubMed	DOI	Target Context	# Activities
32673481	10.1021/acs.jmedchem.0c00643	Neuropeptide FF receptor 1	4
32673481	10.1021/acs.jmedchem.0c00643	Neuropeptide FF receptor 2	4

Data from ChEMBL 36 via Core Engine