General Information of Drug (ID: DMSGMPU)

Drug Name
Tyr-Pro-Phg-Pro-NH2
Synonyms CHEMBL425421; Tyr-Pro-Phg-Pro-NH2
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 507.6
Logarithm of the Partition Coefficient (xlogp) 1
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 4
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C27H33N5O5
IUPAC Name
(2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(1S)-2-[(2S)-2-carbamoylpyrrolidin-1-yl]-2-oxo-1-phenylethyl]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](C3=CC=CC=C3)C(=O)N4CCC[C@H]4C(=O)N
InChI
InChI=1S/C27H33N5O5/c28-20(16-17-10-12-19(33)13-11-17)26(36)32-15-5-9-22(32)25(35)30-23(18-6-2-1-3-7-18)27(37)31-14-4-8-21(31)24(29)34/h1-3,6-7,10-13,20-23,33H,4-5,8-9,14-16,28H2,(H2,29,34)(H,30,35)/t20-,21-,22-,23-/m0/s1
InChIKey
QTYFABXBYBNUEU-MLCQCVOFSA-N
Cross-matching ID
PubChem CID
44413146
TTD ID
D0C2ZW

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 Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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.