Details of the Drug

General Information of Drug (ID: DMRXCYF)

• Drug Name: US9586942, 3*
• Synonyms: SCHEMBL16651324; BDBM294229; US9586942, 3*
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 425.6
  Logarithm of the Partition Coefficient (xlogp); 3.6
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C24H31N3O2S
  IUPAC Name: N-[1-[(7S,8R)-7-(azetidin-1-yl)-8-benzyl-5,6,7,8-tetrahydronaphthalen-2-yl]azetidin-3-yl]methanesulfonamide
  Canonical SMILES: CS(=O)(=O)NC1CN(C1)C2=CC3=C(CC[C@@H]([C@@H]3CC4=CC=CC=C4)N5CCC5)C=C2
  InChI: InChI=1S/C24H31N3O2S/c1-30(28,29)25-20-16-27(17-20)21-10-8-19-9-11-24(26-12-5-13-26)23(22(19)15-21)14-18-6-3-2-4-7-18/h2-4,6-8,10,15,20,23-25H,5,9,11-14,16-17H2,1H3/t23-,24+/m1/s1
  InChIKey: DTCYWONIILSWPE-RPWUZVMVSA-N
• Cross-matching ID:
  PubChem CID: 118022168
  TTD ID: D0NT3V

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] Aminotetraline and aminoindane derivatives, pharmaceutical compositions containing them, and their use in therapy. US9586942.