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]
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]
Molecular Interaction Atlas (MIA) 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) 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.