Details of the Drug

General Information of Drug (ID: DMSZFTP)

Drug Name
Met-enkephalin
Synonyms
MET-enkephalin; H-Tyr-Gly-Gly-Phe-Met-OH; 58569-55-4; Tyr-Gly-Gly-Phe-Met-OH; METENKEFALIN; [Met]enkephalin; [5-Methionine]Enkephalin; TYR-GLY-GLY-PHE-MET; Enkephalin M; UNII-9JEZ9OD3AS; (Met5)-enkephalin; Lupex; 9JEZ9OD3AS; CHEMBL13786; CHEBI:6618; ENKEPHALIN, METHIONINE; Opioid growth factor; [Met5]-ENKEPHALIN; [Met5]Enkephalin acetate salt hydrate; Porcine beta-endorphin 1-5; (2S,5S,14S)-14-Amino-5-benzyl-15-(4-hydroxyphenyl)-2-(2-(methylthio)ethyl)-4,7,10,13-tetraoxo-3,6,9,12-tetraazapentadecan-1-oic
Indication
Disease Entry ICD 11 Status REF
Pain MG30-MG3Z Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 4 Molecular Weight (mw) 573.7
Logarithm of the Partition Coefficient (xlogp) -2.1
Rotatable Bond Count (rotbonds) 16
Hydrogen Bond Donor Count (hbonddonor) 7
Hydrogen Bond Acceptor Count (hbondacc) 9
ADMET Property
Absorption AUC
The area under the plot of plasma concentration (AUC) of drug is 0.361 mcgh/L [2]
Absorption Cmax
The maximum plasma concentration (Cmax) of drug is 1266.14 ng/L [2]
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 0.16 h [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 4.2 - 39 minutes [2]
Chemical Identifiers
Formula
C27H35N5O7S
IUPAC Name
(2S)-2-[[(2S)-2-[[2-[[2-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]acetyl]amino]acetyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoic acid
Canonical SMILES
CSCC[C@@H](C(=O)O)NC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CNC(=O)CNC(=O)[C@H](CC2=CC=C(C=C2)O)N
InChI
InChI=1S/C27H35N5O7S/c1-40-12-11-21(27(38)39)32-26(37)22(14-17-5-3-2-4-6-17)31-24(35)16-29-23(34)15-30-25(36)20(28)13-18-7-9-19(33)10-8-18/h2-10,20-22,33H,11-16,28H2,1H3,(H,29,34)(H,30,36)(H,31,35)(H,32,37)(H,38,39)/t20-,21-,22-/m0/s1
InChIKey
YFGBQHOOROIVKG-FKBYEOEOSA-N
Cross-matching ID
PubChem CID
443363
ChEBI ID
CHEMBL13786
CAS Number
58569-55-4
TTD ID
D0V5WL
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Opioid receptor delta (OPRD1) TT27RFC OPRD_HUMAN Agonist [3]
Opioid receptor mu (MOP) TTKWM86 OPRM_HUMAN Inhibitor [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Pain
ICD Disease Classification MG30-MG3Z
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
Opioid receptor delta (OPRD1) DTT OPRD1 5.52E-01 0.03 0.23
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1614).
2 Bosna Lijek: Enkorten Summary of Product Characteristics
3 Delta-opioid receptor agonists inhibit neuromuscular transmission in human colon. Eur J Pharmacol. 1994 Sep 1;262(1-2):33-9.
4 Further studies of tyrosine surrogates in opioid receptor peptide ligands. Bioorg Med Chem Lett. 2007 May 1;17(9):2656-60.