Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DX6WXC
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| Drug Name |
D-Tyr-Gly-[(Nle28,31,Bpa29)CCK-26-33]
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| Synonyms |
CHEMBL405243
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C76H87N11O18
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc3ccc(cc3)C(=O)c4ccccc4)NC(=O)[C@H](CCCC)NC(=O)[C@H](Cc5ccc(O)cc5)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@H](N)Cc6ccc(O)cc6)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc7ccccc7)C(=O)O
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| InChI |
InChI=1S/C76H87N11O18/c1-3-5-20-56(81-71(99)58(37-47-27-33-52(89)34-28-47)84-74(102)61(40-65(91)92)80-64(90)43-79-68(96)54(77)35-45-25-31-51(88)32-26-45)69(97)83-59(36-46-23-29-49(30-24-46)67(95)48-17-11-8-12-18-48)72(100)85-60(39-50-42-78-55-22-14-13-19-53(50)55)73(101)82-57(21-6-4-2)70(98)86-62(41-66(93)94)75(103)87-63(76(104)105)38-44-15-9-7-10-16-44/h7-19,22-34,42,54,56-63,78,88-89H,3-6,20-21,35-41,43,77H2,1-2H3,(H,79,96)(H,80,90)(H,81,99)(H,82,101)(H,83,97)(H,84,102)(H,85,100)(H,86,98)(H,87,103)(H,91,92)(H,93,94)(H,104,105)/t54-,56+,57+,58+,59+,60+,61+,62+,63+/m1/s1
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| InChIKey |
HCSNZLCOMRQGKY-AXCQFWQNSA-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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