Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DXQ6IL
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| Drug Name |
CHEMBL1172429
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| Synonyms |
(3S,6S,9S,12S,15R,18S,21S,24R,27S)-18-((1H-imidazol-5-yl)methyl)-9-((1H-indol-3-yl)methyl)-27-amino-3-((S)-1-amino-1-oxo-3-phenylpropan-2-ylcarbamoyl)-21-benzyl-6-butyl-12-(3-guanidinopropyl)-28-(4-hydroxyphenyl)-24-methyl-15-(naphthalen-2-ylmethyl)-5,8,11,14,17,20,23,26-octaoxo-4,7,10,13,16,19,22,25-octaazaoctacosan-1-oic acid
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C76H91N17O13
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| Canonical SMILES |
CCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](Cc3ccc4ccccc4c3)NC(=O)[C@H](Cc5cnc[nH]5)NC(=O)[C@H](Cc6ccccc6)NC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc7ccc(O)cc7)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc8ccccc8)C(=O)N
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| InChI |
InChI=1S/C76H91N17O13/c1-3-4-23-57(69(100)93-64(40-65(95)96)75(106)88-59(66(78)97)35-45-16-7-5-8-17-45)86-73(104)62(38-51-41-83-56-24-14-13-22-54(51)56)91-70(101)58(25-15-32-82-76(79)80)87-71(102)61(37-48-26-29-49-20-11-12-21-50(49)33-48)90-74(105)63(39-52-42-81-43-84-52)92-72(103)60(36-46-18-9-6-10-19-46)89-67(98)44(2)85-68(99)55(77)34-47-27-30-53(94)31-28-47/h5-14,16-22,24,26-31,33,41-44,55,57-64,83,94H,3-4,15,23,25,32,34-40,77H2,1-2H3,(H2,78,97)(H,81,84)(H,85,99)(H,86,104)(H,87,102)(H,88,106)(H,89,98)(H,90,105)(H,91,101)(H,92,103)(H,93,100)(H,95,96)(H4,79,80,82)/t44-,55+,57+,58+,59+,60+,61-,62+,63+,64+/m1/s1
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| InChIKey |
NENKRICCIWXRGU-KGPNUUHGSA-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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