Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0C7VI
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| Former ID |
DNC005522
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| Drug Name |
Ac-YR[CEHdFRWC]SPPKD-NH2
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| Indication | Discovery agent | Investigative | [527529] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C83H115N25O21S2
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| Canonical SMILES |
CC(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCN=C(N)N)C(=O)NC2CSS<br />CC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C(NC2=O)CCC(=O<br />)O)CC3=CNC=N3)CC4=CC=CC=C4)CCCN=C(N)N)CC5=CNC6=CC=CC=C6<br />5)C(=O)NC(CO)C(=O)N7CCCC7C(=O)N8CCCC8C(=O)NC(CCCCN)C(=O<br />)NC(CC(=O)O)C(=O)N
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| InChI |
1S/C83H115N25O21S2/c1-44(110)95-57(34-46-22-24-49(111)25-23-46)73(121)96-54(19-10-30-92-83(88)89)71(119)105-62-41-130-131-42-63(78(126)104-61(40-109)80(128)108-32-12-21-65(108)81(129)107-31-11-20-64(107)79(127)99-52(17-7-8-28-84)69(117)100-56(68(85)116)37-67(114)115)106-75(123)59(35-47-38-93-51-16-6-5-15-50(47)51)102-70(118)53(18-9-29-91-82(86)87)97-74(122)58(33-45-13-3-2-4-14-45)101-76(124)60(36-48-39-90-43-94-48)103-72(120)55(98-77(62)125)26-27-66(112)113/h2-6,13-16,22-25,38-39,43,52-65,93,109,111H,7-12,17-21,26-37,40-42,84H2,1H3,(H2,85,116)(H,90,94)(H,95,110)(H,96,121)(H,97,122)(H,98,125)(H,99,127)(H,100,117)(H,101,124)(H,102,118)(H,103,120)(H,104,126)(H,105,119)(H,106,123)(H,112,113)(H,114,115)(H4,86,87,91)(H4,88,89,92)/t52-,53-,54-,55+,56-,57-,58-,59+,60-,61-,62+,63+,64-,65-/m0/s1
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| InChIKey |
PPKIGEMCDOLKEY-AURDXFKRSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Melanocortin-4 receptor | Target Info | Inhibitor | [527529] | |
| Melanocyte stimulating hormone receptor | Target Info | Inhibitor | [527529] | ||
| Melanocortin-3 receptor | Target Info | Inhibitor | [527529] | ||
| Pathway Interaction Database | Syndecan-3-mediated signaling events | ||||
| References | |||||
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