Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
DXK8CB
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| Drug Name |
CHEMBL375360
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| Synonyms |
(3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(2S)-2-amino-3-carboxypropanamido]-3-[4-(sulfooxy)phenyl]propanamido]-4-(methylsulfanyl)butanamido]acetamido}-3-(1H-indol-3-yl)propanamido]-4-(methylsulfanyl)butanamido]-3-{[(1S)-1-carboxy-2-phenylethyl]carbamoyl}propanoic acid
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| Indication | Discovery agent | Investigative | [1587926] | ||
| Formula |
C49H61N9O17S3
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| Canonical SMILES |
CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(=O)O
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| InChI |
InChI=1S/C49H61N9O17S3/c1-76-18-16-34(54-46(67)36(56-43(64)32(50)23-41(60)61)20-28-12-14-30(15-13-28)75-78(72,73)74)44(65)52-26-40(59)53-37(22-29-25-51-33-11-7-6-10-31(29)33)47(68)55-35(17-19-77-2)45(66)57-38(24-42(62)63)48(69)58-39(49(70)71)21-27-8-4-3-5-9-27/h3-15,25,32,34-39,51H,16-24,26,50H2,1-2H3,(H,52,65)(H,53,59)(H,54,67)(H,55,68)(H,56,64)(H,57,66)(H,58,69)(H,60,61)(H,62,63)(H,70,71)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1
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| InChIKey |
SDJPEEZPMPFEON-YRVFCXMDSA-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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