Details of the Drug

General Information of Drug (ID: DME7OCX)

Drug Name
ENIPORIDE
Synonyms
Eniporide; 176644-21-6; N-(diaminomethylene)-2-methyl-5-(methylsulfonyl)-4-(1H-pyrrol-1-yl)benzamide; N-Carbamimidoyl-2-methyl-5-(methylsulfonyl)-4-(1H-pyrrol-1-yl)benzamide; EMD-96785; UNII-7IGF9182QU; CHEMBL64360; 7IGF9182QU; Eniporide [INN]; C14H16N4O3S; N-(Diaminomethylene); AC1O5FJV; Eniporide(EMD96785); SCHEMBL6619621; CTK8C4436; UADMBZFZZOBWBB-UHFFFAOYSA-N; MolPort-035-675-643; KS-00000IZ2; EX-A1476; CZC25146; BCP09780; BDBM50058715; ANW-71932; 9260AA; ZINC13555902; AKOS024262733; AKOS016007503; DS-16493; AK-61121; AJ-64172
Indication
Disease Entry ICD 11 Status REF
Cardiac arrhythmias BC9Z Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 320.37
Logarithm of the Partition Coefficient (xlogp) 0.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C14H16N4O3S
IUPAC Name
N-(diaminomethylidene)-2-methyl-5-methylsulfonyl-4-pyrrol-1-ylbenzamide
Canonical SMILES
CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)N2C=CC=C2
InChI
InChI=1S/C14H16N4O3S/c1-9-7-11(18-5-3-4-6-18)12(22(2,20)21)8-10(9)13(19)17-14(15)16/h3-8H,1-2H3,(H4,15,16,17,19)
InChIKey
UADMBZFZZOBWBB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6433092
ChEBI ID
CHEMBL64360
CAS Number
176644-21-6
TTD ID
D0V9RU
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Sodium/hydrogen exchanger 1 (SLC9A1) TTGSEFH SL9A1_HUMAN Inhibitor [2]
Sodium/hydrogen exchanger 3 (SLC9A3) TTFZVPO SL9A3_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Cardiac arrhythmias
ICD Disease Classification BC9Z
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Sodium/hydrogen exchanger 3 (SLC9A3) DTT SLC9A3 6.83E-01 -0.03 -0.13
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 800010029)
2 Bicyclic acylguanidine Na+/H+ antiporter inhibitors. J Med Chem. 1998 Sep 10;41(19):3736-47.