Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DX7RBB
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| Drug Name |
3-{2-[2-(2-{1-[2-(2-tert-Butoxycarbonylamino-3-carboxy-propionylamino)-3-(4-sulfooxy-phenyl)-propionylamino]-pentylcarbamoyl}-acetylamino)-3-(1H-indol-3-yl)-propionylamino]-hexanoylamino}-N-(1-carbamoyl-2-phenyl-ethyl)-succinamic acid
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| Synonyms |
CHEMBL1160501
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C56H74N10O18S
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| Canonical SMILES |
CCCC[C@@H](NC(=O)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@H](CC(=O)O)C(=O)N[C@@H](Cc3ccccc3)C(=O)N)NC(=O)[C@H](Cc4ccc(OS(=O)(=O)O)cc4)NC(=O)C(CC(=O)O)NC(=O)OC(C)(C)C
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| InChI |
InChI=1S/C56H74N10O18S/c1-6-8-18-38(50(74)63-42(28-47(69)70)52(76)61-39(49(57)73)25-32-15-11-10-12-16-32)60-51(75)41(27-34-31-58-37-19-14-13-17-36(34)37)59-45(67)30-46(68)65-44(20-9-7-2)66-54(78)40(26-33-21-23-35(24-22-33)84-85(80,81)82)62-53(77)43(29-48(71)72)64-55(79)83-56(3,4)5/h10-17,19,21-24,31,38-44,58H,6-9,18,20,25-30H2,1-5H3,(H2,57,73)(H,59,67)(H,60,75)(H,61,76)(H,62,77)(H,63,74)(H,64,79)(H,65,68)(H,66,78)(H,69,70)(H,71,72)(H,80,81,82)/t38-,39-,40-,41+,42+,43?,44-/m0/s1
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| InChIKey |
QRYOMNSPKSJSKG-OGPDVSBDSA-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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