Details of the Drug

General Information of Drug (ID: DM59G40)

Drug Name
Rimeporide
Synonyms EMD-87580; EMR-204; EMR-62204; NHE inhibitors (atrial fibrillation), Merck KGaA; Sodium/hydrogen exchange inhibitors (atrial fibrillation), Merck KGaA
Indication
Disease Entry ICD 11 Status REF
Myocardial infarction BA41-BA43 Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 333.4
Logarithm of the Partition Coefficient (xlogp) -0.3
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C11H15N3O5S2
IUPAC Name
N-(diaminomethylidene)-2-methyl-4,5-bis(methylsulfonyl)benzamide
Canonical SMILES
CC1=CC(=C(C=C1C(=O)N=C(N)N)S(=O)(=O)C)S(=O)(=O)C
InChI
InChI=1S/C11H15N3O5S2/c1-6-4-8(20(2,16)17)9(21(3,18)19)5-7(6)10(15)14-11(12)13/h4-5H,1-3H3,(H4,12,13,14,15)
InChIKey
GROMEQPXDKRRIE-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9799487
ChEBI ID
CHEMBL2107802
CAS Number
187870-78-6
UNII
QH6B4V5743
DrugBank ID
DB12861
TTD ID
D0F1PH

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Sodium/hydrogen exchanger (SLC) TT70SZ3 NOUNIPROTAC Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction 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 800042366)
2 Sodium-hydrogen exchanger, cardiac overload, and myocardial hypertrophy. Circulation. 2007 Mar 6;115(9):1090-100.