Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DX3UMG
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| Drug Name |
CCK7 analogue
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| Synonyms |
CHEMBL2310858
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C51H64N8O13S
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| Canonical SMILES |
CCCC1CCN([C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc2ccccc2)C(=O)N)[C@H]1C(=O)[C@H](Cc3c[nH]c4ccccc34)NC(=O)CNC(=O)[C@@H]5CCCN5C(=O)CCc6ccc(OS(=O)(=O)O)cc6
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| InChI |
InChI=1S/C51H64N8O13S/c1-4-11-34-23-25-58(31(2)49(66)56-40(28-45(62)63)51(68)57(3)42(48(52)65)26-33-12-6-5-7-13-33)46(34)47(64)39(27-35-29-53-38-15-9-8-14-37(35)38)55-43(60)30-54-50(67)41-16-10-24-59(41)44(61)22-19-32-17-20-36(21-18-32)72-73(69,70)71/h5-9,12-15,17-18,20-21,29,31,34,39-42,46,53H,4,10-11,16,19,22-28,30H2,1-3H3,(H2,52,65)(H,54,67)(H,55,60)(H,56,66)(H,62,63)(H,69,70,71)/t31-,34?,39-,40-,41-,42-,46+/m0/s1
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| InChIKey |
UIOFZBXVGACHJB-JXBJRDHYSA-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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