Details of the Drug

General Information of Drug (ID: DM70HYT)

• Drug Name: Tyr-Pro-Phe-Phg-NH2
• Synonyms: CHEMBL378111; Tyr-Pro-Phe-Phg-NH2

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 2:
  Molecular Weight (mw); 557.6
  Logarithm of the Partition Coefficient (xlogp); 2
  Rotatable Bond Count (rotbonds); 11
  Hydrogen Bond Donor Count (hbonddonor); 5
  Hydrogen Bond Acceptor Count (hbondacc); 6
• Chemical Identifiers:
  Formula: C31H35N5O5
  IUPAC Name: (2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(1S)-2-amino-2-oxo-1-phenylethyl]amino]-1-oxo-3-phenylpropan-2-yl]pyrrolidine-2-carboxamide
  Canonical SMILES: C1C[C@H](N(C1)C(=O)[C@H](CC2=CC=C(C=C2)O)N)C(=O)N[C@@H](CC3=CC=CC=C3)C(=O)N[C@@H](C4=CC=CC=C4)C(=O)N
  InChI: InChI=1S/C31H35N5O5/c32-24(18-21-13-15-23(37)16-14-21)31(41)36-17-7-12-26(36)30(40)34-25(19-20-8-3-1-4-9-20)29(39)35-27(28(33)38)22-10-5-2-6-11-22/h1-6,8-11,13-16,24-27,37H,7,12,17-19,32H2,(H2,33,38)(H,34,40)(H,35,39)/t24-,25-,26-,27-/m0/s1
  InChIKey: UUUCKSPURQXDKV-FWEHEUNISA-N
• Cross-matching ID:
  PubChem CID: 44413074
  TTD ID: D04MYP

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Opioid receptor mu (MOP)	TTKWM86	OPRM_HUMAN	Inhibitor	[1]

Molecular Expression Atlas of This Drug

• The Studied Disease: Discovery agent
• ICD Disease Classification: N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Opioid receptor mu (MOP)	DTT	OPRM1	5.94E-01	-0.02	-0.17

References

• [1] Opioid receptor binding and antinociceptive activity of the analogues of endomorphin-2 and morphiceptin with phenylalanine mimics in the position 3... Bioorg Med Chem Lett. 2006 Jul 15;16(14):3688-92.