Therapeutic Targets Database
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TTD Drug ID: DAP000096

Drug Information
NameCetrorelix
SynonymsAc-D-Nal(2)-D-Phe(pCl)-D-Pal(3)-Ser-Tyr-D-Cit-Leu-Arg-Pro-D-Ala-NH2; N-acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-L-tyrosyl-N5-carbomoyl-D-ornithyl-L-leucyl-L-prolyl-D-alaninamide; 120287-85-6; CHEMBL1200490; D07665; Cetrotide (TN); HS-2008; Cetrorelix (INN); N-acetyl-3-(naphthalen-2-yl)-D-alanyl-4-chloro-D-phenylalanyl-3-(pyridin-3-yl)-D-alanyl-L-seryl-L-tyrosyl-N(5)-carbamoyl-D-ornithyl-L-leucyl-L-arginyl-L-prolyl-D-alaninamide; Cetrorelixum; Cetrorelix; CHEBI:59224
Trade NameCetrotide
CompanyMerck Serono
IndicationControlled ovarian stimulation
[ICD9: 183   ICD10: C56]
Approved    [1]
Structure

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InChI1S/C70H92ClN17O14/c1-39(2)31-52(61(94)82-51(15-9-28-77-69(73)74)6
8(101)88-30-10-16-58(88)67(100)79-40(3)59(72)92)83-60(93)50(14-8-
29-78-70(75)102)81-63(96)54(34-43-20-25-49(91)26-21-43)86-66(99)5
7(38-89)87-65(98)56(36-45-11-7-27-76-37-45)85-64(97)55(33-42-18-2
3-48(71)24-19-42)84-62(95)53(80-41(4)90)35-44-17-22-46-12-5-6-13-
47(46)32-44/h5-7,11-13,17-27,32,37,39-40,50-58,89,91H,8-10,14-16,
28-31,33-36,38H2,1-4H3,(H2,72,92)(H,79,100)(H,80,90)(H,81,96)(H,8
2,94)(H,83,93)(H,84,95)(H,85,97)(H,86,99)(H,87,98)(H4,73,74,77)(H
3,75,78,102)/t40-,50-,51+,52+,53-,54+,55-,56-,57+,58+/m1/s1
InChIKeySBNPWPIBESPSIF-MHWMIDJBSA-N
Canonical SMILESCC(C)CC(C(=O)NC(CCCN=C(N)N)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CCCNC(=
O)N)NC(=O)C(CC2=CC=C(C=C2)O)NC(=O)C(CO)NC(=O)C(CC3=CN=CC=C3)NC(=O)C(CC4=
CC=C(C=C4)Cl)NC(=O)C(CC5=CC6=CC=CC=C6C=C5)NC(=O)C    
Isomeric SMILESC[C@H](C(=O)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCN=C(N)N)NC(=O)[C@H](CC(C)
C)NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)NC(=O)[C@H](CO)NC
(=O)[C@@H](CC3=CN=CC=C3)NC(=O)[C@@H](CC4=CC=C(C=C4)Cl)NC(=O)[C@@H](CC5=
CC6=CC=CC=C6C=C5)NC(=O)C
Therapeutic ClassInfertility Agents
CAS NumberCAS 120287-85-6
FormulaC72H96ClN17O16
PubChem Compound IDCID 25074887.
PubChem Substance IDSID 631566.
SuperDrug ATC IDH01CC02
H01CC02
TargetGonadotropin-releasing hormone receptorAntagonist[2][3]
Ref 1New drugs in development for the treatment of endometriosis. Expert Opin Investig Drugs. 2008 Aug;17(8):1187-202. To Reference
Ref 2Gonadotropin releasing hormone analogs induce apoptosis by extrinsic pathway involving p53 phosphorylation in primary cell cultures of human prostatic adenocarcinomas. Prostate. 2009 Jul 1;69(10):1025-33. To Reference
Ref 3Gonadotrophin-releasing hormone antagonists for assisted conception. Cochrane Database Syst Rev. 2006 Jul 19;3:CD001750. To Reference



 

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