Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0Y7KH
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| Former ID |
DNC005341
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| Drug Name |
Degarelix
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| Synonyms |
Degarelix; 214766-78-6; UNII-SX0XJI3A11; SX0XJI3A11; CHEMBL415606; Uglypeptide1; Degarelix (INN/USAN); Degarelix [USAN:INN:BAN]; SCHEMBL1397034; GTPL5585; HSDB 7817; CHEBI:135961; HY-16168A; BDBM50102450; AKOS030526717; AN-5181; RL02641; DB06699; CS-5350; FE200486 (AS ACETATE SALT); QC-10170; Z-3147; D08901; 766D786; Ac-D-Nal-[D-(pCl)Phe]-D-Pal-Ser-[Aph(DHor)]-D-[Aph(Cbm)]-Leu-ILys-Pro-DAla-NH2
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| Drug Type |
Small molecular drug
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| Indication | Prostate cancer [ICD-11: 2C82.0; ICD-10: C61; ICD-9: 185] | Approved | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C82H103ClN18O16
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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)N)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/C82H103ClN18O16/c1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/h7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/t47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/m1/s1
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| InChIKey |
MEUCPCLKGZSHTA-XYAYPHGZSA-N
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| CAS Number |
CAS 214766-78-6
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:135961
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| ADReCS Drug ID | BADD_D00599 ; BADD_D00600 | |||
| SuperDrug ATC ID |
L02BX02
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Gonadotropin-releasing hormone receptor (GNRHR) | Target Info | Inhibitor | [3] |
| 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 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5585). | |||
| REF 2 | ClinicalTrials.gov (NCT01512472) Firmagon (Degarelix) Intermittent Therapy. U.S. National Institutes of Health. | |||
| REF 3 | Iterative approach to the discovery of novel degarelix analogues: substitutions at positions 3, 7, and 8. Part II. J Med Chem. 2005 Jul 28;48(15):4851-60. | |||
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