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]
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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
CAS Number: 176644-21-6
TTD ID: D0V9RU

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]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
Sodium/hydrogen exchanger 1 (SLC9A1)	OT6HNHFV	SL9A1_HUMAN	Gene/Protein Processing	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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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)

MEA Detail

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.
3	Zoniporide: a potent and highly selective inhibitor of human Na(+)/H(+) exchanger-1. Eur J Pharmacol. 2002 Sep 6;451(1):37-41. doi: 10.1016/s0014-2999(02)02193-3.