Details of the Drug

General Information of Drug (ID: DMTPJI8)

• Drug Name: PMID25522065-Compound-18
• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight (mw); 472.6
  Logarithm of the Partition Coefficient (xlogp); 5.2
  Rotatable Bond Count (rotbonds); 9
  Hydrogen Bond Donor Count (hbonddonor); 0
  Hydrogen Bond Acceptor Count (hbondacc); 5
• Chemical Identifiers:
  Formula: C29H32N2O4
  IUPAC Name: (3S)-1-[3-methoxy-4-(2-pyrrolidin-1-ylethoxy)phenyl]-3-(4-phenylphenoxy)pyrrolidin-2-one
  Canonical SMILES: COC1=C(C=CC(=C1)N2CC[C@@H](C2=O)OC3=CC=C(C=C3)C4=CC=CC=C4)OCCN5CCCC5
  InChI: InChI=1S/C29H32N2O4/c1-33-28-21-24(11-14-26(28)34-20-19-30-16-5-6-17-30)31-18-15-27(29(31)32)35-25-12-9-23(10-13-25)22-7-3-2-4-8-22/h2-4,7-14,21,27H,5-6,15-20H2,1H3/t27-/m0/s1
  InChIKey: QXWLILWORIGJCR-MHZLTWQESA-N
• Cross-matching ID:
  PubChem CID: 118284274
  TTD ID: D0CV5F

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Melanin-concentrating hormone receptor 1 (MCHR1)	TTX4RTB	MCHR1_HUMAN	Antagonist	[1]

Molecular Expression Atlas of This Drug

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Melanin-concentrating hormone receptor 1 (MCHR1)	DTT	MCHR1	6.98E-01	-0.01	-0.04

References

• [1] Novel MCH1 receptor antagonists: a patent review.Expert Opin Ther Pat. 2015 Feb;25(2):193-207.