Details of the Drug

General Information of Drug (ID: DMU61XP)

• Drug Name: PMID29671355-Compound-69
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 478.6
  Logarithm of the Partition Coefficient (xlogp); 3.3
  Rotatable Bond Count (rotbonds); 12
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 7
• Chemical Identifiers:
  Formula: C27H34N4O4
  IUPAC Name: N-[(1S)-1-[5-(2-methoxyquinolin-3-yl)-1,3-oxazol-2-yl]-7-oxononyl]-1-methylazetidine-3-carboxamide
  Canonical SMILES: CCC(=O)CCCCC[C@@H](C1=NC=C(O1)C2=CC3=CC=CC=C3N=C2OC)NC(=O)C4CN(C4)C
  InChI: InChI=1S/C27H34N4O4/c1-4-20(32)11-6-5-7-13-23(29-25(33)19-16-31(2)17-19)27-28-15-24(35-27)21-14-18-10-8-9-12-22(18)30-26(21)34-3/h8-10,12,14-15,19,23H,4-7,11,13,16-17H2,1-3H3,(H,29,33)/t23-/m0/s1
  InChIKey: YOCBGMVQRJHNRU-QHCPKHFHSA-N
• Cross-matching ID:
  PubChem CID: 72793856
  TTD ID: D0RF1Z

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Histone deacetylase (HDAC)	TTBH0VX	NOUNIPROTAC	Inhibitor	[1]

References

• [1] HDAC inhibitors: a 2013-2017 patent survey.Expert Opin Ther Pat. 2018 Apr 19:1-17.