Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0CE9U
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| Former ID |
DNC012205
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| Drug Name |
Asp-Tyr(OSO3H)-Met-Gly-Trp-Met-Asp-Phe
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| Synonyms |
Asp-Tyr(SO3Na)-Met-Gly-Trp-Met-Asp-Phe-NH2
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| Indication | Discovery agent | Investigative | [551252] | ||
| Structure |
|
Download2D MOL |
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| Canonical SMILES |
C1=CC=C(C=C1)CC(C(=O)N)NC(=O)C(CC(=O)O)NC(=O)C(CS)NC(=O<br />)C(CC2=CNC3=CC=CC=C32)NC(=O)CNC(=O)C(CS)NC(=O)C(CC4=CC=<br />C(C=C4)OS(=O)(=O)O)NC(=O)C(CC(=O)O)N
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| InChI |
1S/C45H54N10O16S3/c46-28(17-37(57)58)40(62)52-31(15-24-10-12-26(13-11-24)71-74(68,69)70)42(64)54-34(21-72)41(63)49-20-36(56)50-32(16-25-19-48-29-9-5-4-8-27(25)29)43(65)55-35(22-73)45(67)53-33(18-38(59)60)44(66)51-30(39(47)61)14-23-6-2-1-3-7-23/h1-13,19,28,30-35,48,72-73H,14-18,20-22,46H2,(H2,47,61)(H,49,63)(H,50,56)(H,51,66)(H,52,62)(H,53,67)(H,54,64)(H,55,65)(H,57,58)(H,59,60)(H,68,69,70)/t28-,30-,31-,32-,33-,34-,35-/m0/s1
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| InChIKey |
UOJBNRUFXOXRBL-NBWDCHGVSA-N
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| Target and Pathway | |||||
| Target(s) | Cholecystokinin receptor type A | Target Info | Inhibitor | [551252] | |
| Gastrin/cholecystokinin type B receptor | Target Info | Inhibitor | [551255] | ||
| PANTHER Pathway | CCKR signaling map ST | ||||
| PathWhiz Pathway | Gastric Acid Production | ||||
| References | |||||
| Ref 551252 | Toward developing peptidomimetics: Successful replacement of backbone amide bonds in tetrapeptide-based CCK-A receptor agonists, Bioorg. Med. Chem. Lett. 3(5):855-860 (1993). | ||||
| Ref 551255 | The rational design and synthesis of non-peptide ??hegnylogues??of CCK-26-33 - a novel series of CCK-A selective ligands, Bioorg. Med. Chem. Lett. 3(5):889-894 (1993). | ||||
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