Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0R5TA
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| Former ID |
DNC008606
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| Drug Name |
ENDOMORPHIN-1
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| Synonyms |
Endomorphin 1; Endomorphin-1; 189388-22-5; Tyr-Pro-Trp-Phe-Nh2; H-Tyr-Pro-Trp-Phe-NH2; CHEMBL316446; L-Phenylalaninamide,L-tyrosyl-L-prolyl-L-tryptophyl-; (S)-N-((S)-1-((S)-1-amino-1-oxo-3-phenylpropan-2-ylamino)-3-(1H-indol-3-yl)-1-oxopropan-2-yl)-1-((S)-2-amino-3-(4-hydroxyphenyl)propanoyl)pyrrolidine-2-carboxamide; (2S)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]-N-[(2S)-1-[[(2S)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C34H38N6O5
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| Canonical SMILES |
C1CC(N(C1)C(=O)C(CC2=CC=C(C=C2)O)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NC(CC5=CC=CC=C5)C(=O)N
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| InChI |
1S/C34H38N6O5/c35-26(17-22-12-14-24(41)15-13-22)34(45)40-16-6-11-30(40)33(44)39-29(19-23-20-37-27-10-5-4-9-25(23)27)32(43)38-28(31(36)42)18-21-7-2-1-3-8-21/h1-5,7-10,12-15,20,26,28-30,37,41H,6,11,16-19,35H2,(H2,36,42)(H,38,43)(H,39,44)/t26-,28-,29-,30-/m0/s1
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| InChIKey |
ZEXLJFNSKAHNFH-SYKYGTKKSA-N
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| CAS Number |
CAS 189388-22-5
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Opioid receptor delta (OPRD1) | Target Info | Inhibitor | [2] |
| Opioid receptor kappa (OPRK1) | Target Info | Inhibitor | [3] | |
| Opioid receptor mu (MOP) | Target Info | Inhibitor | [4] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Estrogen signaling pathway | ||||
| Morphine addiction | ||||
| cGMP-PKG signaling pathway | ||||
| Sphingolipid signaling pathway | ||||
| NetPath Pathway | TCR Signaling Pathway | |||
| Panther Pathway | Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | |||
| Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | ||||
| Enkephalin release | ||||
| Opioid prodynorphin pathway | ||||
| Opioid proenkephalin pathway | ||||
| Opioid proopiomelanocortin pathway | ||||
| Pathway Interaction Database | IL4-mediated signaling events | |||
| Reactome | Peptide ligand-binding receptors | |||
| G alpha (i) signalling events | ||||
| WikiPathways | TCR Signaling Pathway | |||
| GPCRs, Class A Rhodopsin-like | ||||
| Peptide GPCRs | ||||
| Opioid Signalling | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 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: 1623). | |||
| REF 2 | New endomorphin analogues containing alicyclic beta-amino acids: influence on bioactive conformation and pharmacological profile. J Med Chem. 2008 Jul 24;51(14):4270-9. | |||
| REF 3 | Structure-activity study on the Phe side chain arrangement of endomorphins using conformationally constrained analogues. J Med Chem. 2004 Jan 29;47(3):735-43. | |||
| REF 4 | Synthesis and evaluation of new endomorphin analogues modified at the Pro(2) residue. Bioorg Med Chem Lett. 2009 Aug 1;19(15):4115-8. | |||
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