Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DX3IFS
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| Drug Name |
H-Tyr-D-Ala-Gly-Phe-NH-NH-(NMe)Phe-Asp-Lys(Cpac)-Trp-Ac
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| Synonyms |
CHEMBL412331
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C63H71ClN10O15
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| Canonical SMILES |
CCCC[C@H](N(C(=O)Nc1ccccc1Cl)C(=O)[C@H](CC(=O)O)NC(=O)[C@H](Cc2ccccc2)N(C)N[C@@H](Cc3ccccc3)C(=O)NCC(=O)N[C@H](C)C(=O)N[C@@H](Cc4ccc(O)cc4)C(=O)O)C(=O)N[C@@H](Cc5cn(C(=O)C)c6ccccc56)C(=O)O
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| InChI |
InChI=1S/C63H71ClN10O15/c1-5-6-24-52(58(82)69-50(62(87)88)33-42-36-73(38(3)75)51-25-16-13-21-44(42)51)74(63(89)70-46-23-15-14-22-45(46)64)60(84)48(34-55(78)79)67-59(83)53(32-40-19-11-8-12-20-40)72(4)71-47(30-39-17-9-7-10-18-39)57(81)65-35-54(77)66-37(2)56(80)68-49(61(85)86)31-41-26-28-43(76)29-27-41/h7-23,25-29,36-37,47-50,52-53,71,76H,5-6,24,30-35H2,1-4H3,(H,65,81)(H,66,77)(H,67,83)(H,68,80)(H,69,82)(H,70,89)(H,78,79)(H,85,86)(H,87,88)/t37-,47+,48+,49+,50+,52+,53+/m1/s1
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| InChIKey |
ZICGXQSIIFWORG-XXDIXCCXSA-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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