Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D01YIX
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| Former ID |
DNC012442
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| Drug Name |
Compound [S15]ET-1
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| Indication | Discovery agent | Investigative | [551320] | ||
| Formula |
C65H89N13O15
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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)C(CO)NC(=O)C(CC4=CC=CC=C4)NC(=O)C(CC5=CC=C(C=C5)O)NC<br />(=O)C(C(C)C)N
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| InChI |
1S/C65H89N13O15/c1-9-36(7)54(63(90)75-50(65(92)93)27-40-30-68-44-19-15-14-18-43(40)44)78-64(91)55(37(8)10-2)77-60(87)49(29-52(81)82)73-56(83)45(24-34(3)4)70-59(86)48(28-41-31-67-33-69-41)72-61(88)51(32-79)76-58(85)46(25-38-16-12-11-13-17-38)71-57(84)47(74-62(89)53(66)35(5)6)26-39-20-22-42(80)23-21-39/h11-23,30-31,33-37,45-51,53-55,68,79-80H,9-10,24-29,32,66H2,1-8H3,(H,67,69)(H,70,86)(H,71,84)(H,72,88)(H,73,83)(H,74,89)(H,75,90)(H,76,85)(H,77,87)(H,78,91)(H,81,82)(H,92,93)/t36-,37-,45-,46-,47-,48-,49-,50-,51-,53-,54-,55-/m0/s1
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| InChIKey |
OBEIVYFBZMBARX-QJBWIXBOSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Endothelin B receptor | Target Info | Inhibitor | [551320] | |
| PANTHER Pathway | Endothelin signaling pathway | ||||
| Pathway Interaction Database | Endothelins | ||||
| Arf6 trafficking events | |||||
| References | |||||
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