Compound Detail

CHEMBL1891684

RIODIPINE

🧪 Phase II

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🧪 Phase II

COC(=O)C1=C(C)NC(C)=C(C(=O)OC)C1c1ccccc1OC(F)F

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL1891684
Name	RIODIPINE
Phase	Phase II
Structure Type	MOL
InChI Key	AZVFIZVKGSPGPK-UHFFFAOYSA-N

Foridon Riodipine Riodipino Ryodipine

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

367.4

MW (Da)

2.87

ALogP

HBA

HBD

73.9

PSA (Å²)

0.81

QED

Ro5 Violations

Rot. Bonds

Molecule Type	Small molecule
Chirality	Achiral

USAN Stem

-dipine; -pine

EC50 4 meas. best 5.8

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Nuclear receptor subfamily 1 group I member 2 CHEMBL3401	EC50	5.8	5.35	1600.0	3
Nuclear receptor subfamily 1 group I member 2 CHEMBL2146315	EC50	5.75	5.75	1800.0	1

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Nuclear receptor subfamily 1 group I member 2	EC50	=	1600.0	nM	5.8	Activation of human PXR expressed in human HepG2 (DPX-2) cells assessed as induc...	20966043
Nuclear receptor subfamily 1 group I member 2	EC50	=	1800.0	nM	5.75	Activation of rat PXR expressed in human HepG2 cells after 24 hrs by luciferase ...	20966043
Nuclear receptor subfamily 1 group I member 2	EC50	=	4000.0	nM	5.4	Activation of human PXR expressed in human HepG2 (DPX-2) cells after 24 hrs by l...	20966043
Nuclear receptor subfamily 1 group I member 2	EC50	=	14100.0	nM	4.85	Competitive binding affinity to human PXR LBD (111 to 434) by TR-FRET assay	20966043

PubMed	DOI	Target Context	# Activities
20966043	10.1124/dmd.110.035105	Nuclear receptor subfamily 1 group I member 2	8
20966043	10.1124/dmd.110.035105	ADMET	1

Data from ChEMBL 36 via Core Engine