Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DXO6KJ
|
||||
| Drug Name |
H-Tyr-D-Ala-Gly-Phe-NH-NH-Phe-Asp-Nle-D-Trp-2-Adoc
|
||||
| Synonyms |
CHEMBL438739
|
||||
| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C64H77N9O15
|
||||
| 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)OC5C6CC7CC(CC5C7)C6)c8ccccc48)C(=O)O
|
||||
| InChI |
InChI=1S/C64H77N9O15/c1-3-4-18-47(59(80)70-52(63(85)86)32-44-35-73(53-19-12-11-17-46(44)53)64(87)88-56-42-25-40-24-41(27-42)28-43(56)26-40)67-60(81)48(33-55(76)77)68-61(82)50(30-38-15-9-6-10-16-38)72-71-49(29-37-13-7-5-8-14-37)58(79)65-34-54(75)66-36(2)57(78)69-51(62(83)84)31-39-20-22-45(74)23-21-39/h5-17,19-23,35-36,40-43,47-52,56,71-72,74H,3-4,18,24-34H2,1-2H3,(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)/t36-,40?,41?,42?,43?,47+,48+,49+,50+,51+,52-,56?/m1/s1
|
||||
| InChIKey |
VEGZKBKISJJLJC-FCVZMFCYSA-N
|
||||
| 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 | |||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.