Details of the Drug

General Information of Drug (ID: DMMC3AG)

• Drug Name: Tetra-hydro-quinoline derivative 4
• Synonyms: PMID26924192-Compound-85
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 357.4
  Logarithm of the Partition Coefficient (xlogp); 2.2
  Rotatable Bond Count (rotbonds); 6
  Hydrogen Bond Donor Count (hbonddonor); 1
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C20H27N3O3
  IUPAC Name: 1-[(2S)-6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-methyl-5-propoxy-3,4-dihydro-2H-quinolin-1-yl]ethanone
  Canonical SMILES: CCCOC1=C(C=CC2=C1CC[C@@H](N2C(=O)C)C)C3=CN(N=C3)CCO
  InChI: InChI=1S/C20H27N3O3/c1-4-11-26-20-17(16-12-21-22(13-16)9-10-24)7-8-19-18(20)6-5-14(2)23(19)15(3)25/h7-8,12-14,24H,4-6,9-11H2,1-3H3/t14-/m0/s1
  InChIKey: LCUMODKDHNQTRE-AWEZNQCLSA-N
• Cross-matching ID:
  PubChem CID: 118076127
  TTD ID: D05PZG

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Bromodomain and extraterminal domain protein (BET)	TTE4BSY	NOUNIPROTAC	Inhibitor	[1]

References

• [1] BET inhibitors in cancer therapeutics: a patent review.Expert Opin Ther Pat. 2016;26(4):505-22.