Details of the Drug

General Information of Drug (ID: DMKZC4V)

• Drug Name: US9586945, 19a
• Synonyms: SCHEMBL16651999; BDBM294267; US9586945, 19a; Cis-N-(1-(4-benzyl-7-fluoro-3-(methylamino)chroman-6-yl)azetidin-3-yl)-1-cyclopropylmethanesulfonamide
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 459.6
  Logarithm of the Partition Coefficient (xlogp); 3.2
  Rotatable Bond Count (rotbonds); 8
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C24H30FN3O3S
  IUPAC Name: N-[1-[(3S,4S)-4-benzyl-7-fluoro-3-(methylamino)-3,4-dihydro-2H-chromen-6-yl]azetidin-3-yl]-1-cyclopropylmethanesulfonamide
  Canonical SMILES: CN[C@@H]1COC2=CC(=C(C=C2[C@@H]1CC3=CC=CC=C3)N4CC(C4)NS(=O)(=O)CC5CC5)F
  InChI: InChI=1S/C24H30FN3O3S/c1-26-22-14-31-24-11-21(25)23(10-20(24)19(22)9-16-5-3-2-4-6-16)28-12-18(13-28)27-32(29,30)15-17-7-8-17/h2-6,10-11,17-19,22,26-27H,7-9,12-15H2,1H3/t19-,22+/m0/s1
  InChIKey: BOABKZGNZKTRFI-SIKLNZKXSA-N
• Cross-matching ID:
  PubChem CID: 118022766
  TTD ID: D06WEY

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.