Drug Information

Drug General Information
Drug ID
D0Y7KH
Former ID
DNC005341
Drug Name
DEGARELIX
Drug Type
Small molecular drug
Indication Prostate cancer [ICD9: 185; ICD10:C61] Approved [523763], [540953]
Structure
Download
2D MOL

3D MOL
Formula
C82H103ClN18O16
InChI
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
InChIKey
MEUCPCLKGZSHTA-XYAYPHGZSA-N
CAS Number
CAS 214766-78-6
PubChem Compound ID
16136245
PubChem Substance ID
14890845, 14939869, 28732578, 40669636, 96025584, 103384065, 103998990, 126667086, 134343850, 172096383, 174528346, 175267405, 178102220, 184824064, 198993102, 223664248, 227612504
SuperDrug ATC ID
L02BX02
Target and Pathway
Target(s) Gonadotropin-releasing hormone receptor Target Info Inhibitor [527646]
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
Ref 523763ClinicalTrials.gov (NCT01512472) Firmagon (Degarelix) Intermittent Therapy. U.S. National Institutes of Health.
Ref 540953(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 527646J Med Chem. 2005 Jul 28;48(15):4851-60.Iterative approach to the discovery of novel degarelix analogues: substitutions at positions 3, 7, and 8. Part II.

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