Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0R0BY
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| Former ID |
DNC005537
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| Drug Name |
Ac-YR[CEH(pCl-dF)RWC]-NH2
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| Indication | Discovery agent | Investigative | [527529] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C60H78ClN19O13S2
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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=CN=CN3)CC4=CC=C(C=C4)Cl)CCCN=C(N)N)CC5=CNC6=CC=C<br />C=C65)C(=O)N
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| InChI |
1S/C60H78ClN19O13S2/c1-31(81)72-43(22-33-12-16-37(82)17-13-33)54(89)73-41(9-5-21-69-60(65)66)52(87)80-48-29-95-94-28-47(50(62)85)79-56(91)45(24-34-26-70-39-7-3-2-6-38(34)39)77-51(86)40(8-4-20-68-59(63)64)74-55(90)44(23-32-10-14-35(61)15-11-32)76-57(92)46(25-36-27-67-30-71-36)78-53(88)42(75-58(48)93)18-19-49(83)84/h2-3,6-7,10-17,26-27,30,40-48,70,82H,4-5,8-9,18-25,28-29H2,1H3,(H2,62,85)(H,67,71)(H,72,81)(H,73,89)(H,74,90)(H,75,93)(H,76,92)(H,77,86)(H,78,88)(H,79,91)(H,80,87)(H,83,84)(H4,63,64,68)(H4,65,66,69)/t40-,41-,42+,43-,44-,45+,46-,47+,48+/m0/s1
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| InChIKey |
KIFNALNSUOJQPJ-XVRHLUALSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Melanocortin receptor | Target Info | Inhibitor | [527529] | |
| Melanocortin-3 receptor | Target Info | Inhibitor | [527529] | ||
| Melanocortin-4 receptor | Target Info | Inhibitor | [527529] | ||
| Melanocyte stimulating hormone receptor | Target Info | Inhibitor | [527529] | ||
| Pathway Interaction Database | Syndecan-3-mediated signaling events | ||||
| References | |||||
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