Details of the Drug

General Information of Drug (ID: DMYXOU2)

Drug Name

NRX-4204

Synonyms

AGN-190205; AGN-191659; AGN-191701; AGN-192326; AGN-192327; AGN-192509; AGN-192599; AGN-192870; AGN-194277; AGN-195393; AGN-4202; ALRT-326; ALRT-4204; LGD-4204; LGD-4326; NRX-194202; RXR ligands, ALRT; RXR ligands, Allergan; Retinoid X receptor agonists, ALRT; Retinoid X receptor agonists, Allergan; VTP-4204; RXR agonists, Allergan/Pfizer; Rexinoid receptor agonist (cancer), NuRx; RXR agonists (cancer/ diabetes), Vitae Pharmaceuticals; RXR agonists, Allergan/Parke-Davis

Indication

Disease Entry	ICD 11	Status	REF
Diabetic complication	5A2Y	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 1

Molecular Weight (mw)

352.5

Logarithm of the Partition Coefficient (xlogp)

7.3

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C24H32O2
IUPAC Name: (2E,4E)-3-methyl-5-[2-methyl-2-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]penta-2,4-dienoic acid
Canonical SMILES: C/C(=C\\C(=O)O)/C=C/C1CC1(C)C2=CC3=C(C=C2)C(CCC3(C)C)(C)C
InChI: InChI=1S/C24H32O2/c1-16(13-21(25)26)7-8-18-15-24(18,6)17-9-10-19-20(14-17)23(4,5)12-11-22(19,2)3/h7-10,13-14,18H,11-12,15H2,1-6H3,(H,25,26)/b8-7+,16-13+
InChIKey: BOOOLEGQBVUTKC-YWRSBGDESA-N

Cross-matching ID

PubChem CID: 9863342
TTD ID: D06QXI

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Retinoic acid receptor RXR-gamma (RXRG)	TTH029C	RXRG_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Diabetic complication

ICD Disease Classification

5A2Y

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Retinoic acid receptor RXR-gamma (RXRG)	DTT	RXRG	4.44E-02	-0.25	-0.41

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 2811).
2	DOI: 10.1038/scibx.2010.766