Details of the Drug

General Information of Drug (ID: DMJWR1I)

Drug Name

E-3030

Synonyms

Dual PPAR alpha/gamma agonists, Eisai

Indication

Disease Entry	ICD 11	Status	REF
Hyperlipidaemia	5C80	Discontinued in Phase 1	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
3

Molecular Weight

909.8

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

20

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

14

Chemical Identifiers

Formula: C44H44CaCl2F2N2O10
IUPAC Name: calcium;(2S)-3-[3-[(2S)-3-(4-chloro-2-cyanophenoxy)-2-fluoropropoxy]phenyl]-2-propan-2-yloxypropanoate
Canonical SMILES: CC(C)O[C@@H](CC1=CC(=CC=C1)OC[C@@H](COC2=C(C=C(C=C2)Cl)C#N)F)C(=O)[O-].CC(C)O[C@@H](CC1=CC(=CC=C1)OC[C@@H](COC2=C(C=C(C=C2)Cl)C#N)F)C(=O)[O-].[Ca+2]
InChI: InChI=1S/2C22H23ClFNO5.Ca/c2*1-14(2)30-21(22(26)27)9-15-4-3-5-19(8-15)28-12-18(24)13-29-20-7-6-17(23)10-16(20)11-25;/h2*3-8,10,14,18,21H,9,12-13H2,1-2H3,(H,26,27);/q;;+2/p-2/t2*18-,21-;/m00./s1
InChIKey: QBPOEQDRFVFZRI-ATAMATRTSA-L

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Peroxisome proliferator-activated receptor alpha (PPARA)	TTJ584C	PPARA_HUMAN	Modulator	[2]
Peroxisome proliferator-activated receptor gamma (PPAR-gamma)	TTZMAO3	PPARG_HUMAN	Modulator	[2]

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Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Hyperlipidaemia

ICD Disease Classification

5C80

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Peroxisome proliferator-activated receptor gamma (PPAR-gamma)	DTT	PPARG	2.41E-01	-0.06	-0.25

Molecular Expression Atlas (MEA)

Jump to Detail Molecular Expression Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800021476)
2	Antidiabetic and hypolipidemic effects of a novel dual peroxisome proliferator-activated receptor (PPAR) alpha/gamma agonist, E3030, in db/db mice and beagle dogs.J Pharmacol Sci.2008 Sep;108(1):40-8.