Details of the Drug

General Information of Drug (ID: DMLTZKX)

• Drug Name: Dihydroisoxazole derivative 2
• Synonyms: PMID26560530-Compound-52
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 568.4
  Logarithm of the Partition Coefficient (xlogp); 4
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C26H23BrFN5O4
  IUPAC Name: quinolin-3-ylmethyl N-[(2S)-1-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methylamino]-3-(5-fluoro-1H-indol-3-yl)-1-oxopropan-2-yl]carbamate
  Canonical SMILES: C1C(ON=C1Br)CNC(=O)[C@H](CC2=CNC3=C2C=C(C=C3)F)NC(=O)OCC4=CC5=CC=CC=C5N=C4
  InChI: InChI=1S/C26H23BrFN5O4/c27-24-10-19(37-33-24)13-31-25(34)23(8-17-12-30-22-6-5-18(28)9-20(17)22)32-26(35)36-14-15-7-16-3-1-2-4-21(16)29-11-15/h1-7,9,11-12,19,23,30H,8,10,13-14H2,(H,31,34)(H,32,35)/t19?,23-/m0/s1
  InChIKey: SUDBOOMQYSPULE-BVHINDKJSA-N
• Cross-matching ID:
  PubChem CID: 16094738
  TTD ID: D0CL1D

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Tissue transglutaminase (TG2)	TT2F4OL	TGM2_HUMAN	Inhibitor	[1]

References

• [1] Transglutaminase inhibitors: a patent review.Expert Opin Ther Pat. 2016;26(1):49-63.