Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D05HKF
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| Former ID |
DNC012447
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| Drug Name |
Compound ET-3
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| Indication | Discovery agent | Investigative | [551320] | ||
| Formula |
C65H89N13O15S
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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(CS)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=C(C=C5)O<br />)NC(=O)C(C(C)C)N
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| InChI |
1S/C65H89N13O15S/c1-9-35(7)54(63(90)75-50(65(92)93)26-39-29-68-44-14-12-11-13-43(39)44)78-64(91)55(36(8)10-2)77-60(87)49(28-52(81)82)73-56(83)45(23-33(3)4)70-59(86)48(27-40-30-67-32-69-40)72-61(88)51(31-94)76-58(85)46(24-37-15-19-41(79)20-16-37)71-57(84)47(74-62(89)53(66)34(5)6)25-38-17-21-42(80)22-18-38/h11-22,29-30,32-36,45-51,53-55,68,79-80,94H,9-10,23-28,31,66H2,1-8H3,(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)/t35-,36-,45-,46-,47-,48-,49-,50-,51-,53-,54-,55-/m0/s1
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| InChIKey |
AFBZMKWCZFFWIC-HVEFNXCZSA-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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