Compound Detail

CHEMBL3715249

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Cc1ccc(NC(=O)N2Cc3ccccc3C2)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3715249
Phase	Preclinical
Structure Type	MOL
InChI Key	WMKUUERVVQDFBK-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

252.3

MW (Da)

3.54

ALogP

HBA

HBD

32.3

PSA (Å²)

0.83

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

EC50 3 meas. best 5.52

Ki 1 meas. best 5.66

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Nicotinamide phosphoribosyltransferase CHEMBL1744525	Ki	5.66	5.66	2200.0	1
T1R1/T1R3 CHEMBL3832641	EC50	5.52	5.52	3050.0	1
T1R2/T1R3 CHEMBL3832642	EC50	5.52	5.52	3050.0	1
Unchecked CHEMBL612545	EC50	5.52	5.52	3050.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Nicotinamide phosphoribosyltransferase	Ki	=	2200.0	nM	5.66	Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoin...	28610984
T1R2/T1R3	EC50	=	3050.0	nM	5.52	Agonist activity at human T1R2/T1R3 expressed in HEK293T cells co-expressing Gal...	-
T1R1/T1R3	EC50	=	3050.0	nM	5.52	Immunological Binding Assay: Immunoassays also often use a labeling agent to spe...	-
Unchecked	EC50	=	3050.0	nM	5.52	Immunological Binding Assay: Immunoassays also often use a labeling agent to spe...	-

PubMed	DOI	Target Context	# Activities
28610984	10.1016/j.bmcl.2017.06.018	Liver	2
28610984	10.1016/j.bmcl.2017.06.018	Nicotinamide phosphoribosyltransferase	1
28610984	10.1016/j.bmcl.2017.06.018	PC-3	1
28610984	10.1016/j.bmcl.2017.06.018	No relevant target	1

Data from ChEMBL 36 via Core Engine