Compound Detail

CHEMBL390369

NORARISTOLODIONE

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COc1c(O)cc2c3c(cc4ccccc4c13)NC(=O)C2=O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL390369
Name	NORARISTOLODIONE
Phase	Preclinical
Structure Type	MOL
InChI Key	FPIKZASYTJSPJN-UHFFFAOYSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

293.3

MW (Da)

2.84

ALogP

HBA

HBD

75.6

PSA (Å²)

0.53

QED

Ro5 Violations

Rot. Bonds

Natural Product First in Class Prodrug

IC50 2 meas. best 6.51

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
B-cell CHEMBL614701	IC50	6.51	6.51	312.0	1
T-cell CHEMBL614309	IC50	5.31	5.31	4930.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
B-cell	IC50	=	312.0	nM	6.51	Inhibition of LPS-induced BALB/c mouse B cell proliferation	17081761
T-cell	IC50	=	4930.0	nM	5.31	Inhibition of ConA-induced BALB/c mouse T cell proliferation	17081761

PubMed	DOI	Target Context	# Activities
10978218	10.1021/np000063v	Platelet	6
17081761	10.1016/j.bmc.2006.10.034	T-cell	2
17081761	10.1016/j.bmc.2006.10.034	ADMET	1
17081761	10.1016/j.bmc.2006.10.034	B-cell	1
17081761	10.1016/j.bmc.2006.10.034	Unchecked	1
28499733	10.1016/j.bmcl.2017.04.072	RAW264.7	1
29969260	10.1021/acs.jnatprod.8b00209	Neuroepithelial cell-transforming gene 1 protein	1
29969260	10.1021/acs.jnatprod.8b00209	Rho guanine nucleotide exchange factor 1	1

Data from ChEMBL 36 via Core Engine