Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DXL4FD
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| Drug Name |
H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-Nle-D-Trp-1-Adoc
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| Synonyms |
CHEMBL408832
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C64H77N9O15
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc1ccccc1)NN[C@@H](Cc2ccccc2)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)O)C(=O)N[C@H](Cc4cn(C(=O)OC56CC7CC(CC(C7)C5)C6)c8ccccc48)C(=O)O
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| InChI |
InChI=1S/C64H77N9O15/c1-3-4-18-47(58(80)70-52(62(85)86)30-44-36-73(53-19-12-11-17-46(44)53)63(87)88-64-32-41-24-42(33-64)26-43(25-41)34-64)67-59(81)48(31-55(76)77)68-60(82)50(28-39-15-9-6-10-16-39)72-71-49(27-38-13-7-5-8-14-38)57(79)65-35-54(75)66-37(2)56(78)69-51(61(83)84)29-40-20-22-45(74)23-21-40/h5-17,19-23,36-37,41-43,47-52,71-72,74H,3-4,18,24-35H2,1-2H3,(H,65,79)(H,66,75)(H,67,81)(H,68,82)(H,69,78)(H,70,80)(H,76,77)(H,83,84)(H,85,86)/t37-,41?,42?,43?,47+,48+,49+,50+,51+,52-,64?/m1/s1
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| InChIKey |
VVKBKPBAKDXLOT-UEJOTSENSA-N
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| Target and Pathway | |||||
| Target(s) | Gastrin/cholecystokinin type B receptor | Target Info | [1587926] | ||
| Cholecystokinin receptor type A | Target Info | [1587926] | |||
| PANTHER Pathway | CCKR signaling map ST | ||||
| PathWhiz Pathway | Gastric Acid Production | ||||
| References | |||||
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