Drug Details

General Information of the Drug (ID: DR5354)
Name
Triptorelin
Synonyms
TRIPTORELIN; 57773-63-4; Triptoreline; Decapeptyl; (D-Trp6)-GnRH; Triptorelina; Triptorelinum; Trelstar; Triptodur; Diphereline; (6-D-Tryptophan)luteinizing hormone-releasing hormone; CL 118532; CL-118532; pGlu-His-Trp-Ser-Tyr-D-Trp-Leu-Arg-Pro-Gly-NH2; AY-25650; Luteinizing hormone-releasing factor (pig), 6-D-tryptophan; CL 118,532; CHEBI:63633; Pamorelin; Trelstar depot; 5-Oxo-L-prolyl-L-histidyl-L-tryptophyl-L-seryl-L-tyrosyl-D-tryptophyl-L-leucyl-L-arginyl-L-prolylglycinamide; Trelstar LA; Arvekap; Diferelin; Luteinizing hormone-releasing factor (swine), 6-D-tryptophan-; UNII-08AN7WA2G0; 08AN7WA2G0; D-Tryptophan-LH-RH; Wy 42462; Triptoreline [INN-French]; Triptorelinum [INN-Latin]; Triptorelina [INN-Spanish]; AY 25650; Salvacyl; Trellasar; Moapar; Triptorelin [USAN:INN:BAN]; Decapeptyl SR; Pamorelin LA; UNII-9081Y98W2V; Triptorelin (swine); BIM 21003; Wy 42422; Wy-42462; D-Trp6-LHRH; Debio-8206; Triptorelin (USAN/INN); (D-Trp6)-LH-RH; GTPL1177; SCHEMBL5079698; CHEMBL1201334; SCHEMBL22289009; HMS2090C17; EX-A3857; BIM-21003; AKOS030213249; 9081Y98W2V; CS-5745; DB06825; NCGC00167301-01; NCGC00167301-02; AK552887; AS-71149; BN-52014; HY-12551; 73T634; D06247; [D-Trp6]-LH-RH, >=97% (HPLC), powder; AB01275488-01; pGlu-His-Trp-Ser-Tyr-D-Trp-Leu-Arg-Pro-GlyNH2; Q1992452; (S)-1-((3S,6S,9S,12S,15R,18S,21S)-3-((1H-imidazol-5-yl)methyl)-6,15-bis((1H-indol-3-yl)methyl)-21-(3-guanidinopropyl)-12-(4-hydroxybenzyl)-9-(hydroxymethyl)-18-isobutyl-1,4,7,10,13,16,19-heptaoxo-1-((S)-5-oxopyrrolidin-2-yl)-2,5,8,11,14,17,20-heptaazadocosan-22-oyl)-N-(2-amino-2-oxoethyl)pyrrolidine-2-carboxamide
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Molecular Type
Small molecule
Disease Solid tumour/cancer [ICD-11: 2A00-2F9Z] Approved [1]
Structure
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2D MOL

3D MOL

ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 3: high solubility and low permeability
Clearance
The total clearance of drug is 211.9 mL/min
Elimination
41.7% of drug is excreted from urine in the unchanged form
Half-life
The concentration or amount of drug in body reduced by one-half in 3 hours
Metabolism
The drug is metabolized via the hepatic
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.00451 micromolar/kg/day
Vd
The volume of distribution (Vd) of drug is 30-33 L
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Formula
C64H82N18O13
PubChem CID
25074470
Canonical SMILES
CC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NCC(=O)N)NC(=O)C(CC2=CNC3=CC=CC=C32)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8
InChI
1S/C64H82N18O13/c1-34(2)23-46(56(88)75-45(13-7-21-69-64(66)67)63(95)82-22-8-14-52(82)62(94)72-31-53(65)85)76-58(90)48(25-36-28-70-42-11-5-3-9-40(36)42)78-57(89)47(24-35-15-17-39(84)18-16-35)77-61(93)51(32-83)81-59(91)49(26-37-29-71-43-12-6-4-10-41(37)43)79-60(92)50(27-38-30-68-33-73-38)80-55(87)44-19-20-54(86)74-44/h3-6,9-12,15-18,28-30,33-34,44-52,70-71,83-84H,7-8,13-14,19-27,31-32H2,1-2H3,(H2,65,85)(H,68,73)(H,72,94)(H,74,86)(H,75,88)(H,76,90)(H,77,93)(H,78,89)(H,79,92)(H,80,87)(H,81,91)(H4,66,67,69)/t44-,45-,46-,47-,48+,49-,50-,51-,52-/m0/s1
InChIKey
VXKHXGOKWPXYNA-PGBVPBMZSA-N
CAS Number
CAS 57773-63-4
ChEBI ID
CHEBI:63633
TTD Drug ID
D03QRS
DrugBank ID
DB06825
Combinatorial Therapeutic Effect(s) Validated Clinically or Experimentally
    α. A List of Natural Product(s) Able to Enhance the Efficacy of This Drug
          Exemestane      Homo sapiens     Click to Show/Hide the Molecular Data of This NP
                 Achieving Therapeutic Synergy     Click to Show/Hide
                    Representative Experiment Reporting the Effect of This Combination [2]
                    Detail(s)  Combination Info  click to show the detail info of this combination
                    Molecule(s)
                    Regulation		 Up-regulation Expression VEGFA  Molecule Info 
Pathway MAP
                    In-vivo Model Ascites OT (5*106) cells were intraperitoneally transplanted in female Wistar rats.
                    Experimental
                    Result(s)		 Triptorelin and exemestane increase antitumor activity of cisplatin in respect to the transplantable malignant ascites OT and significantly increase survival of animals, especially when triptorelin and cisplatin are used in combination.
References
Reference 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: 1177).
Reference 2 The antitumor efficacy of cisplatin in combination with triptorelin and exemestane therapy for an ovarian cancer ascites model in Wistar rats. Exp Oncol. 2015 Mar;37(1):30-5.
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