Details of the Drug

General Information of Drug (ID: DMUNL5Q)

• Drug Name: N-benzyl-4-bromo-3-(morpholinosulfonyl)benzamide
• Synonyms: CHEMBL475493; Cambridge id 5211146; AC1LL0O9; Oprea1_380259; N-benzyl-4-bromo-3-(morpholinosulfonyl)benzamide; CBDivE_007294; SCHEMBL5623492; MolPort-002-316-866; BDBM50277135; AKOS008461950; MCULE-3410949273; AB00075261-01; SR-01000198591; SR-01000198591-1

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 439.3
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 5
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C18H19BrN2O4S
  IUPAC Name: N-benzyl-4-bromo-3-morpholin-4-ylsulfonylbenzamide
  Canonical SMILES: C1COCCN1S(=O)(=O)C2=C(C=CC(=C2)C(=O)NCC3=CC=CC=C3)Br
  InChI: InChI=1S/C18H19BrN2O4S/c19-16-7-6-15(18(22)20-13-14-4-2-1-3-5-14)12-17(16)26(23,24)21-8-10-25-11-9-21/h1-7,12H,8-11,13H2,(H,20,22)
  InChIKey: DEVYAXBKQQLYGQ-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 1076739
  TTD ID: D06JFN

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Cannabinoid receptor 2 (CB2)	TTMSFAW	CNR2_HUMAN	Inhibitor	[1]

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
Cannabinoid receptor 2 (CB2)	DTT	CNR2	3.82E-02	-0.43	-1.18

References

• [1] CB2 selective sulfamoyl benzamides: optimization of the amide functionality. Bioorg Med Chem Lett. 2009 Jan 15;19(2):309-13.