Compound Detail

CHEMBL75133

IRX-4204

🧪 Phase II

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🧪 Phase II

CC(/C=C/[C@@H]1C[C@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)O

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL75133
Name	IRX-4204
Phase	Phase II
Structure Type	MOL
InChI Key	BOOOLEGQBVUTKC-NVQSDHBMSA-N

Known Names

AGN-194204 AGN194204 Irx-4204 KB-145960 NRX-194204 NRX194204 VTP-194204

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Indications

Mechanisms

Molecular Properties

352.5

MW (Da)

5.90

ALogP

HBA

HBD

37.3

PSA (Å²)

0.54

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Chirality	Single Enantiomer

Flags

Natural Product

Extended Properties

Molecular Formula	C24H32O2
MW	352.52
Aromatic Rings	1
Heavy Atoms	26
NP-Likeness	1.35

Mechanism of Action

Mechanism	Action Type	Target	Direct	Efficacy
Retinoid X receptor agonist	AGONIST	Retinoid X receptor	✓	✓

Indications

Carcinoma, Non-Small-Cell Lung Prostatic Neoplasms, Castration-Resistant Neoplasms Parkinson Disease

Activity Summary

EC50 5 meas. best 10.1

Kd 4 meas. best 9.4

IC50 1 meas. best 8.22

Target Activity Profile

Target	Type	Best pChEMBL	Mean pChEMBL	Best (nM)	# Data
Retinoic acid receptor RXR-gamma CHEMBL2004	EC50	10.1	10.1	0.1	1
Retinoic acid receptor RXR-alpha CHEMBL2061	EC50	9.7	9.7	0.2	1
Retinoic acid receptor RXR-alpha CHEMBL2061	Kd	9.4	9.4	0.4	2
Retinoic acid receptor RXR-beta CHEMBL1870	EC50	9.1	9.1	0.8	1
Retinoic acid receptor RXR-beta CHEMBL1870	Kd	8.44	8.44	3.6	1
Retinoic acid receptor RXR-gamma CHEMBL2004	Kd	8.42	8.42	3.8	1
Retinoic acid receptor RXR-alpha CHEMBL2061	IC50	8.22	8.22	6.0	1
Peroxisome proliferator-activated receptor gamma CHEMBL235	EC50	8.07	7.67	8.6	2

Activity Data Samples

Top measurements by pChEMBL value

Target	Type	Rel.	Value	Units	pChEMBL	Assay	PubMed
Retinoic acid receptor RXR-gamma	EC50	=	0.08	nM	10.1	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR gamm...	11428923
Retinoic acid receptor RXR-alpha	EC50	=	0.2	nM	9.7	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR alph...	11428923
Retinoic acid receptor RXR-alpha	Kd	=	0.4	nM	9.4	Inhibition of [3H]9-cis-retinoic acid binding to baculovirus expressed retinoic ...	11428923
Retinoic acid receptor RXR-alpha	Kd	=	0.4	nM	9.4	Dissociation constant for Retinoid X receptor alpha	16190748
Retinoic acid receptor RXR-beta	EC50	=	0.8	nM	9.1	Transcriptional activation in CV-1 cells expressing retinoid X receptor RXR beta	11428923
Retinoic acid receptor RXR-beta	Kd	=	3.6	nM	8.44	Inhibition of [3H]9-cis-retinoic acid binding to baculovirus expressed retinoic ...	11428923
Retinoic acid receptor RXR-gamma	Kd	=	3.8	nM	8.42	Inhibition of [3H]9-cis-retinoic acid binding to baculovirus expressed retinoic ...	11428923
Retinoic acid receptor RXR-alpha	IC50	=	6.0	nM	8.22	In vitro antagonist activity against RXR alpha in CV-1 cells	14592510
Peroxisome proliferator-activated receptor gamma	EC50	=	8.6	nM	8.07	In vitro agonistic activity against PPAR gamma along with 100 nM BRL-49653	14592510
Peroxisome proliferator-activated receptor gamma	EC50	=	54.0	nM	7.27	In vitro agonist efficacy against PPAR gamma along with 100 nM BRL-49653	14592510

Literature References

PubMed	DOI	Target Context	# Activities
14592510	10.1016/j.bmcl.2003.08.048	Retinoic acid receptor RXR-alpha	4
11428923	10.1021/jm0100584	Mus musculus	4
14592510	10.1016/j.bmcl.2003.08.048	Peroxisome proliferator-activated receptor gamma	2
11428923	10.1021/jm0100584	Retinoic acid receptor RXR-alpha	2
11428923	10.1021/jm0100584	Retinoic acid receptor RXR-beta	2
11428923	10.1021/jm0100584	Retinoic acid receptor RXR-gamma	2
14592510	10.1016/j.bmcl.2003.08.048	Retinoic acid receptor alpha	1
11428923	10.1021/jm0100584	Retinoic acid receptor alpha	1
11428923	10.1021/jm0100584	Retinoic acid receptor beta	1
11428923	10.1021/jm0100584	Retinoic acid receptor gamma	1
16190748	10.1021/jm050285w	Retinoic acid receptor RXR-alpha	1
16190748	10.1021/jm050285w	Retinoic acid receptor gamma	1

Data from ChEMBL 36 via Core Engine