Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D01ADK
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| Former ID |
DNC006508
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| Drug Name |
Tyr-D-Pro-Gly-Trp-NMeNle-Asp-Phe-NH2
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| Synonyms |
Tyr-D-Pro-Gly-Trp-NMeNle-Asp-Phe-NH2; CCK-Opioid Peptide, 4; CHEMBL205965; BDBM21134; (3S)-3-[(2S)-2-[(2S)-2-(2-{[(2R)-1-[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]pyrrolidin-2-yl]formamido}acetamido)-3-(1H-indol-3-yl)-N-methylpropanamido]hexanamido]-3-{[(1S)-1-carbamoyl-2-phenylethyl]carbamoyl}propanoic acid
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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 |
C47H59N9O10
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| Canonical SMILES |
CCCCC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)N(C)C(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)C4CCCN4C(=O)C(CC5=CC=C(C=C5)O)N
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| InChI |
1S/C47H59N9O10/c1-3-4-15-38(45(64)54-36(25-41(59)60)43(62)53-35(42(49)61)23-28-11-6-5-7-12-28)55(2)47(66)37(24-30-26-50-34-14-9-8-13-32(30)34)52-40(58)27-51-44(63)39-16-10-21-56(39)46(65)33(48)22-29-17-19-31(57)20-18-29/h5-9,11-14,17-20,26,33,35-39,50,57H,3-4,10,15-16,21-25,27,48H2,1-2H3,(H2,49,61)(H,51,63)(H,52,58)(H,53,62)(H,54,64)(H,59,60)/t33-,35-,36-,37-,38-,39+/m0/s1
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| InChIKey |
XMLJSDGQSNTHPG-TVUSJDTQSA-N
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| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Structure-activity relationships of bifunctional peptides based on overlapping pharmacophores at opioid and cholecystokinin receptors. J Med Chem. 2006 May 18;49(10):2868-75. | |||
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