Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR1929)
Drug Name
Gonadorelin
Synonyms
Gonadorelina [INN-Spanish]; Gonadorelinum [INN-Latin]; Gonadotropin-releasing hormone; Human LH-RH; Hypocrine; Luforan; Lutamin; Lutrefact; Dirigestran; Dirigestran Spofa; Factrel; Fertagyl; GONADORELIN; Mammalian GnRH; Mammalian LH-RH; Ovine LH-RH; Porchine LH-RH; Porcine LH-releasing factor; Relefact; Relisorm l; Synthetic Gn-RH; Synthetic LH-RF; Synthetic LH-RH; Synthetic LH-releasing factor; Synthetic LH-releasing hormone; Synthetic LRF; Synthetic decapeptide FSH/LH-RH; Synthetic gonadoliberin; LH-RH; LHRH; Lutal
Indication Hypogonadism [ICD11: 5A61] Approved [1]
Structure
3D MOL is unavailable 2D MOL
Pharmaceutical Properties Molecular Weight 1182.3 Topological Polar Surface Area 475
Heavy Atom Count 85 Rotatable Bond Count 31
Hydrogen Bond Donor Count 16 Hydrogen Bond Acceptor Count 15
Cross-matching ID
PubChem CID
36523
PubChem SID
9809 ; 7785167 ; 34677956 ; 46506144 ; 50064694 ; 53790166 ; 75265165 ; 81041135 ; 85087283 ; 85209412 ; 104324240 ; 124893762 ; 125348251 ; 126665095 ; 131310917 ; 134221846 ; 134338313 ; 135337520 ; 137240520 ; 160963989 ; 162103133 ; 164811885 ; 179225788 ; 179322364 ; 184545745 ; 223679662 ; 242519605 ; 250134993
CAS Number
6918-09-8
TTD Drug ID
D04ODH
Formula
C55H75N17O13
Canonical SMILES
CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)CNC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CNC4=CC=CC=C43)NC(=O)C(CC5=CN=CN5)NC(=O)C6CCC(=O)N6
InChI
1S/C55H75N17O13/c1-29(2)19-38(49(80)67-37(9-5-17-60-55(57)58)54(85)72-18-6-10-43(72)53(84)62-25-44(56)75)66-46(77)26-63-47(78)39(20-30-11-13-33(74)14-12-30)68-52(83)42(27-73)71-50(81)40(21-31-23-61-35-8-4-3-7-34(31)35)69-51(82)41(22-32-24-59-28-64-32)70-48(79)36-15-16-45(76)65-36/h3-4,7-8,11-14,23-24,28-29,36-43,61,73-74H,5-6,9-10,15-22,25-27H2,1-2H3,(H2,56,75)(H,59,64)(H,62,84)(H,63,78)(H,65,76)(H,66,77)(H,67,80)(H,68,83)(H,69,82)(H,70,79)(H,71,81)(H4,57,58,60)
InChIKey
XLXSAKCOAKORKW-UHFFFAOYSA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
GnRH-(1-5) DM002141
5311128
Unclear 1 [5] , [6]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR001151 Gonadorelin GnRH-(1-5) Unclear Unclear [5], [6]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Metallo-endopeptidase-like 1 (MMEL1) DME0581 Homo sapiens
MMEL1_HUMAN
3.4.24.11
[2]
Prolyl endopeptidase (PREP) DME0574 Homo sapiens
PPCE_HUMAN
3.4.21.26
[3]
Thimet oligopeptidase (THOP1) DME0577 Homo sapiens
THOP1_HUMAN
3.4.24.15
[4]
References
1 Gonadorelin was approved by FDA. The 2020 official website of the U.S. Food and Drug Administration.
2 Cell-specific activity of neprilysin 2 isoforms and enzymic specificity compared with neprilysin. Biochem J. 2002 May 1;363(Pt 3):697-705.
3 Ion-exchange chromatography: basic principles and application to the partial purification of soluble mammalian prolyl oligopeptidase. Methods Mol Biol. 2011;681:215-28.
4 Sleep deprivation changes thimet oligopeptidase (THOP1) expression and activity in rat brain. Heliyon. 2019 Nov 26;5(11):e02896.
5 The metabolite GnRH-(1-5) inhibits the migration of immortalized GnRH neurons Endocrinology. 2013 Feb;154(2):783-95. doi: 10.1210/en.2012-1746.
6 The Novel Actions of the Metabolite GnRH-(1-5) are Mediated by a G Protein-Coupled Receptor Front Endocrinol (Lausanne). 2013 Jul 8;4:83. doi: 10.3389/fendo.2013.00083.

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