Compound Detail

CHEMBL3916483

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CN(C)c1ccc(/C=N/NC(=O)c2ccccc2O)cc1

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL3916483
Phase	Preclinical
Structure Type	MOL
InChI Key	BAFLYEAZPNXJML-GZTJUZNOSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

283.3

MW (Da)

2.22

ALogP

HBA

HBD

64.9

PSA (Å²)

0.67

QED

Ro5 Violations

Rot. Bonds

First in Class Prodrug

IC50 5 meas. best 4.73

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
NON-PROTEIN TARGET CHEMBL3879801	IC50	4.73	4.642	18520.0	5

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
NON-PROTEIN TARGET	IC50	=	18520.0	nM	4.73	Cytotoxicity against human SKOV3 cells assessed as reduction in cell proliferati...	27856237
NON-PROTEIN TARGET	IC50	=	19330.0	nM	4.71	Cytotoxicity against human SK-MEL-2 cells assessed as reduction in cell prolifer...	27856237
NON-PROTEIN TARGET	IC50	=	20670.0	nM	4.68	Cytotoxicity against human MIAPaCa2 cells assessed as reduction in cell prolifer...	27856237
NON-PROTEIN TARGET	IC50	=	21480.0	nM	4.67	Cytotoxicity against human A549 cells assessed as reduction in cell proliferatio...	27856237
NON-PROTEIN TARGET	IC50	=	38390.0	nM	4.42	Cytotoxicity against human HCT15 cells assessed as reduction in cell proliferati...	27856237

PubMed	DOI	Target Context	# Activities
27856237	10.1016/j.bmc.2016.11.005	NON-PROTEIN TARGET	5
27856237	10.1016/j.bmc.2016.11.005	High affinity nerve growth factor receptor	1

Data from ChEMBL 36 via Core Engine