Details of the Drug

General Information of Drug (ID: DMKDBFL)

Drug Name
HBR-985
Synonyms
Glicondamide; 52994-25-9; UNII-876SH4764F; C18H20ClN3O5S; 876SH4764F; 1-[[p-[2-(5-chloro-o-anisamido)ethyl]phenyl]sulfonyl]-3-methylurea; Glicondamide [INN]; 1-((p-(2-(5-Chloro-o-anisamido)ethyl)phenyl)sulfonyl)-3-methylurea; AC1Q3LT7; CHEMBL12806; AC1L562G; SCHEMBL1818252; CTK4J6836; DTXSID10201026; ZINC537790; HB-985; AKOS030573774; ACM52994259; W0037; 5-chloro-2-methoxy-N-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide
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) 425.9
Logarithm of the Partition Coefficient (xlogp) 2.4
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C18H20ClN3O5S
IUPAC Name
5-chloro-2-methoxy-N-[2-[4-(methylcarbamoylsulfamoyl)phenyl]ethyl]benzamide
Canonical SMILES
CNC(=O)NS(=O)(=O)C1=CC=C(C=C1)CCNC(=O)C2=C(C=CC(=C2)Cl)OC
InChI
InChI=1S/C18H20ClN3O5S/c1-20-18(24)22-28(25,26)14-6-3-12(4-7-14)9-10-21-17(23)15-11-13(19)5-8-16(15)27-2/h3-8,11H,9-10H2,1-2H3,(H,21,23)(H2,20,22,24)
InChIKey
RXOBKRPNVDTZQF-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
219108
CAS Number
52994-25-9
TTD ID
D0U1XJ
VARIDT ID
DR00830

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
ATP-binding cassette transporter C8 (ABCC8) TTP835K ABCC8_HUMAN Inhibitor [1]
Inward rectifier potassium channel Kir6.2 (KCNJ11) TT329V4 KCJ11_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Cardioselective K(ATP) channel blockers derived from a new series of m-anisamidoethylbenzenesulfonylthioureas. J Med Chem. 2001 Mar 29;44(7):1085-98.