Details of the Drug

General Information of Drug (ID: DM2RE91)

• Drug Name: US9586945, 1
• Synonyms: SCHEMBL16652550; BDBM294244; US9586945, 1; N-[1-[3-(azetidin-1-yl)-4-benzyl-chroman-6-yl]azetidin-3-yl]-1-methyl-imidazole-4-sulfonamide
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 493.6
  Logarithm of the Partition Coefficient (xlogp); 3
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C26H31N5O3S
  IUPAC Name: N-[1-[3-(azetidin-1-yl)-4-benzyl-3,4-dihydro-2H-chromen-6-yl]azetidin-3-yl]-1-methylimidazole-4-sulfonamide
  Canonical SMILES: CN1C=C(N=C1)S(=O)(=O)NC2CN(C2)C3=CC4=C(C=C3)OCC(C4CC5=CC=CC=C5)N6CCC6
  InChI: InChI=1S/C26H31N5O3S/c1-29-16-26(27-18-29)35(32,33)28-20-14-31(15-20)21-8-9-25-23(13-21)22(12-19-6-3-2-4-7-19)24(17-34-25)30-10-5-11-30/h2-4,6-9,13,16,18,20,22,24,28H,5,10-12,14-15,17H2,1H3
  InChIKey: LMBGMNQXZDWDDD-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 91754453
  TTD ID: D01OZO

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
N-acetylglucosaminyltransferase I (NAGAT1)	TTYJRN5	MGAT1_HUMAN	Inhibitor	[1]

References

• [1] Aminochromane, aminothiochromane and amino-1,2,3,4-tetrahydroquinoline derivatives, pharmaceutical compositions containing them, and their use in therapy. US9586945.