Details of the Drug

General Information of Drug (ID: DM91463)

Drug Name
N-(5-Methanesulfonyl-2-methyl-benzoyl)-guanidine
Synonyms CHEMBL539413; SCHEMBL7125185
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 255.3
Logarithm of the Partition Coefficient (xlogp) 0.4
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C10H13N3O3S
IUPAC Name
N-(diaminomethylidene)-2-methyl-5-methylsulfonylbenzamide
Canonical SMILES
CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)N=C(N)N
InChI
InChI=1S/C10H13N3O3S/c1-6-3-4-7(17(2,15)16)5-8(6)9(14)13-10(11)12/h3-5H,1-2H3,(H4,11,12,13,14)
InChIKey
SSLQVRLYNHXNIS-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9992527
TTD ID
D0T1OG

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 [1]
Sodium/hydrogen exchanger 3 (SLC9A3) TTFZVPO SL9A3_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Discovery agent
ICD Disease Classification N.A.
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 (2-Methyl-5-(methylsulfonyl)benzoyl)guanidine Na+/H+ antiporter inhibitors. J Med Chem. 1997 Jun 20;40(13):2017-34.