Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0M6ZF
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| Former ID |
DNC012748
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| Drug Name |
Boc-Asp-Tyr(So3-)-Nle-Gly-Trp-Asp-Phe-NH2
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| Indication | Discovery agent | Investigative | [532617] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C55H72N10O18S
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| Canonical SMILES |
CCCCC(C(=O)NC(CC(=O)O)C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O<br />)C(CC2=CNC3=CC=CC=C32)NC(=O)NC(=O)C(CCCC)NC(=O)C(CC4=CC<br />=C(C=C4)OS(=O)(=O)O)NC(=O)C(CC(=O)O)NC(=O)OC(C)(C)C
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| InChI |
1S/C55H72N10O18S/c1-6-8-18-37(47(71)62-42(28-44(66)67)51(75)60-39(46(56)70)25-31-15-11-10-12-16-31)58-50(74)41(27-33-30-57-36-20-14-13-17-35(33)36)63-53(77)65-48(72)38(19-9-7-2)59-49(73)40(26-32-21-23-34(24-22-32)83-84(79,80)81)61-52(76)43(29-45(68)69)64-54(78)82-55(3,4)5/h10-17,20-24,30,37-43,57H,6-9,18-19,25-29H2,1-5H3,(H2,56,70)(H,58,74)(H,59,73)(H,60,75)(H,61,76)(H,62,71)(H,64,78)(H,66,67)(H,68,69)(H,79,80,81)(H2,63,65,72,77)/t37-,38-,39-,40-,41-,42-,43-/m0/s1
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| InChIKey |
LWZREZWAQQSATC-NKUVHBIJSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Gastrin/cholecystokinin type B receptor | Target Info | Inhibitor | [532617] | |
| Cholecystokinin receptor type A | Target Info | Inhibitor | [532617] | ||
| PANTHER Pathway | CCKR signaling map ST | ||||
| PathWhiz Pathway | Gastric Acid Production | ||||
| References | |||||
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