Drug Information
Drug General Information | Top | |||
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Drug ID |
D0ID5M
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Former ID |
DNC005520
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Drug Name |
GPYRMEHFRWGSPPKD-NH2
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Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL
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Formula |
C89H127N27O22S
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Canonical SMILES |
CSCCC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CCCNC(=N)N)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)NCC(=O)NC(CO)C(=O)N5CCCC5C(=O)N6CCCC6C(=O)NC(CCCCN)C(=O)NC(CC(=O)O)C(=O)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC7=CC=C(C=C7)O)NC(=O)C8CCCN8C(=O)CN
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InChI |
1S/C89H127N27O22S/c1-139-37-30-60(107-76(127)57(19-9-32-98-88(93)94)104-82(133)63(39-50-24-26-53(118)27-25-50)113-84(135)67-21-11-34-114(67)71(120)43-91)80(131)106-59(28-29-72(121)122)79(130)112-65(41-52-45-97-48-102-52)83(134)110-62(38-49-14-3-2-4-15-49)81(132)105-58(20-10-33-99-89(95)96)78(129)111-64(40-51-44-100-55-17-6-5-16-54(51)55)75(126)101-46-70(119)103-66(47-117)86(137)116-36-13-23-69(116)87(138)115-35-12-22-68(115)85(136)108-56(18-7-8-31-90)77(128)109-61(74(92)125)42-73(123)124/h2-6,14-17,24-27,44-45,48,56-69,100,117-118H,7-13,18-23,28-43,46-47,90-91H2,1H3,(H2,92,125)(H,97,102)(H,101,126)(H,103,119)(H,104,133)(H,105,132)(H,106,131)(H,107,127)(H,108,136)(H,109,128)(H,110,134)(H,111,129)(H,112,130)(H,113,135)(H,121,122)(H,123,124)(H4,93,94,98)(H4,95,96,99)/t56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-/m0/s1
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InChIKey |
XQMPAWYRHAOJTE-JLQTWWGSSA-N
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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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