Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DXR8LT
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| Drug Name |
Boc-cyclo-(Asp-Tyr(SO3H)-Nle-D-Lys)-Trp-Nle-Asp-Phe-NH2
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| Synonyms |
CHEMBL2370598
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C60H81N11O17S
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]3CCCCNC(=O)C[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](Cc4ccc(OS(=O)(=O)O)cc4)C(=O)N[C@@H](CCCC)C(=O)N3)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc5ccccc5)C(=O)N
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| InChI |
InChI=1S/C60H81N11O17S/c1-6-8-20-41-52(76)64-43(23-15-16-28-62-49(72)32-47(71-59(83)87-60(3,4)5)57(81)68-45(55(79)65-41)30-36-24-26-38(27-25-36)88-89(84,85)86)54(78)69-46(31-37-34-63-40-22-14-13-19-39(37)40)56(80)66-42(21-9-7-2)53(77)70-48(33-50(73)74)58(82)67-44(51(61)75)29-35-17-11-10-12-18-35/h10-14,17-19,22,24-27,34,41-48,63H,6-9,15-16,20-21,23,28-33H2,1-5H3,(H2,61,75)(H,62,72)(H,64,76)(H,65,79)(H,66,80)(H,67,82)(H,68,81)(H,69,78)(H,70,77)(H,71,83)(H,73,74)(H,84,85,86)/t41-,42-,43-,44+,45+,46-,47+,48-/m0/s1
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| InChIKey |
RGJCMCCPAYOLOE-BIDFHNDWSA-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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