Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0L8WJ
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| Former ID |
DNC006649
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| Drug Name |
[D-4Aph(CO-NH-OH)6]degarelix
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| Synonyms |
CHEMBL427976; [D-4Aph(CO-NH-OH)6]degarelix
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C82H103ClN18O17
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| Canonical SMILES |
CC(C)CC(C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CC2=CC=C(C=C2)NC(=O)NO)NC(=O)C(CC3=CC=C(C=C3)NC(=O)C4CC(=O)NC(=O)N4)NC(=O)C(CO)NC(=O)C(CC5=CN=CC=C5)NC(=O)C(CC6=CC=C(C=C6)Cl)NC(=O)C(CC7=CC8=CC=CC=C8C=C7)NC(=O)C
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| InChI |
1S/C82H103ClN18O17/c1-45(2)35-60(72(107)91-59(16-9-10-33-86-46(3)4)80(115)101-34-12-17-68(101)79(114)87-47(5)70(84)105)92-74(109)63(38-51-23-30-58(31-24-51)90-82(117)100-118)94-76(111)64(39-50-21-28-57(29-22-50)89-71(106)66-42-69(104)99-81(116)98-66)96-78(113)67(44-102)97-77(112)65(41-53-13-11-32-85-43-53)95-75(110)62(37-49-19-26-56(83)27-20-49)93-73(108)61(88-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,86,102,118H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,87,114)(H,88,103)(H,89,106)(H,91,107)(H,92,109)(H,93,108)(H,94,111)(H,95,110)(H,96,113)(H,97,112)(H2,90,100,117)(H2,98,99,104,116)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m1/s1
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| InChIKey |
ZYLCANLEJMKHHC-XYAYPHGZSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Gonadotropin-releasing hormone receptor (GNRHR) | Target Info | Inhibitor | [1] |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| GnRH signaling pathway | ||||
| NetPath Pathway | IL1 Signaling Pathway | |||
| IL2 Signaling Pathway | ||||
| Panther Pathway | Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway | |||
| Reactome | Hormone ligand-binding receptors | |||
| G alpha (q) signalling events | ||||
| WikiPathways | Gastrin-CREB signalling pathway via PKC and MAPK | |||
| Peptide GPCRs | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Novel analogues of degarelix incorporating hydroxy-, methoxy-, and pegylated-urea moieties at positions 3, 5, 6 and the N-terminus. Part III. J Med Chem. 2006 Jun 15;49(12):3536-43. | |||
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