Drug Information
Drug General Information | Top | |||
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Drug ID |
D0AU4C
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Former ID |
DNC005519
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Drug Name |
AEKKDEGPYRMEHFRWGSPPKD
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL
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Formula |
C118H174N34O35S
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Canonical SMILES |
CC(C(=O)NC(CCC(=O)O)C(=O)NC(CCCCN)C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NCC(=O)N1CCCC1C(=O)NC(CC2=CC=C(C=C2)O)C(=O)NC(CCCNC(=N)N)C(=O)NC(CCSC)C(=O)NC(CCC(=O)O)C(=O)NC(CC3=CN=CN3)C(=O)NC(CC4=CC=CC=C4)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC5=CNC6=CC=CC=C65)C(=O)NCC(=O)NC(CO)C(=O)N7CCCC7C(=O)N8CCCC8C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)O)N
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InChI |
1S/C118H174N34O35S/c1-63(122)97(167)135-77(36-39-93(159)160)105(175)137-71(23-8-11-42-119)100(170)136-72(24-9-12-43-120)102(172)147-84(55-95(163)164)111(181)140-76(35-38-92(157)158)98(168)132-60-91(156)150-47-16-28-87(150)112(182)148-81(52-65-31-33-68(154)34-32-65)109(179)138-74(26-14-45-128-117(123)124)101(171)142-79(41-50-188-2)107(177)141-78(37-40-94(161)162)106(176)146-83(54-67-58-127-62-133-67)110(180)144-80(51-64-19-4-3-5-20-64)108(178)139-75(27-15-46-129-118(125)126)103(173)145-82(53-66-57-130-70-22-7-6-21-69(66)70)99(169)131-59-90(155)134-86(61-153)114(184)152-49-18-30-89(152)115(185)151-48-17-29-88(151)113(183)143-73(25-10-13-44-121)104(174)149-85(116(186)187)56-96(165)166/h3-7,19-22,31-34,57-58,62-63,71-89,130,153-154H,8-18,23-30,35-56,59-61,119-122H2,1-2H3,(H,127,133)(H,131,169)(H,132,168)(H,134,155)(H,135,167)(H,136,170)(H,137,175)(H,138,179)(H,139,178)(H,140,181)(H,141,177)(H,142,171)(H,143,183)(H,144,180)(H,145,173)(H,146,176)(H,147,172)(H,148,182)(H,149,174)(H,157,158)(H,159,160)(H,161,162)(H,163,164)(H,165,166)(H,186,187)(H4,123,124,128)(H4,125,126,129)/t63-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,88-,89-/m0/s1
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InChIKey |
XLLJFSCSXTYVTN-UPWOUFKKSA-N
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CAS Number |
CAS 9034-42-8
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PubChem Compound ID |
Target and Pathway | Top | |||
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Target(s) | Melanocortin receptor (MCR) | Target Info | Inhibitor | [1] |
Melanocortin receptor 1 (MC1R) | Target Info | Inhibitor | [1] | |
Melanocortin receptor 3 (MC3R) | Target Info | Inhibitor | [1] | |
Melanocortin receptor 4 (MC4R) | Target Info | Inhibitor | [1] | |
KEGG Pathway | Neuroactive ligand-receptor interaction | |||
Melanogenesis | ||||
Pathway Interaction Database | Syndecan-3-mediated signaling events | |||
Reactome | Peptide ligand-binding receptors | |||
G alpha (s) signalling events | ||||
WikiPathways | GPCRs, Class A Rhodopsin-like | |||
Peptide GPCRs | ||||
GPCR ligand binding | ||||
GPCR downstream signaling |
References | Top | |||
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REF 1 | Discovery of a beta-MSH-derived MC-4R selective agonist. J Med Chem. 2005 May 5;48(9):3095-8. |
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