Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0M2TB
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| Former ID |
DNC011540
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| Drug Name |
Trp-Ile-Ile-Asp-Leu-Hisc(Cys-Ser-Val-Tyr-Phe-Cys)
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| Indication | Discovery agent | Investigative | [551271] | ||
| Structure |
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Download2D MOL |
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| Formula |
C71H97N15O17S2
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| Canonical SMILES |
CCC(C)C(C(=O)NC(C(C)CC)C(=O)NC(CC1=CNC2=CC=CC=C21)C(=O)<br />O)NC(=O)C(CC(=O)O)NC(=O)C(CC(C)C)NC(=O)C(CC3=CN=CN3)NC(<br />=O)C4CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N4)CC5=CC=CC=C5<br />)CC6=CC=C(C=C6)O)C(C)C)N
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| InChI |
1S/C68H92N14O15S2/c1-9-37(7)56(66(94)78-52(68(96)97)27-41-30-71-46-19-15-14-18-44(41)46)82-67(95)57(38(8)10-2)81-63(91)51(29-54(84)85)76-59(87)47(24-35(3)4)73-62(90)50(28-42-31-70-34-72-42)75-64(92)53-33-99-98-32-45(69)58(86)80-55(36(5)6)65(93)77-49(26-40-20-22-43(83)23-21-40)60(88)74-48(61(89)79-53)25-39-16-12-11-13-17-39/h11-23,30-31,34-38,45,47-53,55-57,71,83H,9-10,24-29,32-33,69H2,1-8H3,(H,70,72)(H,73,90)(H,74,88)(H,75,92)(H,76,87)(H,77,93)(H,78,94)(H,79,89)(H,80,86)(H,81,91)(H,82,95)(H,84,85)(H,96,97)/t37-,38-,45-,47-,48-,49+,50-,51-,52-,53+,55-,56-,57-/m0/s1
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| InChIKey |
OETKRDJJNWJFOP-OUBBGVQJSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Endothelin-1 receptor | Target Info | Inhibitor | [551271] | |
| Endothelin B receptor | Target Info | Inhibitor | [551271] | ||
| NetPath Pathway | IL4 Signaling Pathway | ||||
| PANTHER Pathway | Endothelin signaling pathwayP00019:Endothelin signaling pathway | ||||
| Pathway Interaction Database | Endothelins | ||||
| EGFR-dependent Endothelin signaling eventsendothelinpathway:Endothelins | |||||
| Arf6 trafficking events | |||||
| References | |||||
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