Details of the Drug

General Information of Drug (ID: DM5PBLM)

Drug Name

EYP001

Synonyms

Vonafexor; 1192171-69-9; UNII-XG6DG6A1UN; XG6DG6A1UN; 4-chloro-5-[4-(2,6-dichlorobenzene-1-; sulfonyl)piperazin-1-yl]-1-benzofuran-2-carboxylic acid; Vonafexor [INN]; SCHEMBL1893285; Vonafexor(PLX007,EYP-001); BCP33693; EX-A4037; EYP001;EYP 001;EYP-001; HY-109197; CS-0119143; 2-Benzofurancarboxylic acid, 4-chloro-5-(4-((2,6-dichlorophenyl)sulfonyl)-1-piperazinyl)-; 4-chloro-5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1-benzofuran-2-carboxylic acid

Indication

Disease Entry	ICD 11	Status	REF
Non-alcoholic steatohepatitis	DB92.1	Phase 2	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

489.8

Logarithm of the Partition Coefficient (xlogp)

4.8

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

7

Chemical Identifiers

Formula: C19H15Cl3N2O5S
IUPAC Name: 4-chloro-5-[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-1-benzofuran-2-carboxylic acid
Canonical SMILES: C1CN(CCN1C2=C(C3=C(C=C2)OC(=C3)C(=O)O)Cl)S(=O)(=O)C4=C(C=CC=C4Cl)Cl
InChI: InChI=1S/C19H15Cl3N2O5S/c20-12-2-1-3-13(21)18(12)30(27,28)24-8-6-23(7-9-24)14-4-5-15-11(17(14)22)10-16(29-15)19(25)26/h1-5,10H,6-9H2,(H,25,26)
InChIKey: XLGQSYUNOIJBNR-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 67202717
CAS Number: 1192171-69-9
TTD ID: DBU2W3

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Farnesoid X-activated receptor (FXR)	TTS4UGC	NR1H4_HUMAN	Agonist	[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

Non-alcoholic steatohepatitis

ICD Disease Classification

DB92.1

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Farnesoid X-activated receptor (FXR)	DTT	NR1H4	5.72E-01	0.39	1.68

Molecular Expression Atlas (MEA)

MEA Detail

Jump to Detail Molecular Expression Atlas of This Drug

References

1	ClinicalTrials.gov (NCT03812029) Safety, Tolerability, Pharmacokinetics and Efficacy of EYP001a in Patients With Nonalcoholic Steatohepatitis (NASH). U.S. National Institutes of Health.
2	Clinical pipeline report, company report or official report of ENYO Pharma.