Therapeutic Targets Database
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TTD Drug ID: DAP000094

Drug Information
NameAbarelix
SynonymsUNII-W486SJ5824; Abarelix; N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-N-methyl-L-tyrosyl-D-asparginyl-L-leucyl-N6-isopropyl-L-lysyl-L-prolyl-D-alaninamide; Abarelix (USAN/INN); D-Alaninamide, N-acetyl-3-(2-naphthalenyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridinyl)-D-alanyl-L-seryl-N-methyl-L-tyrosyl-D-asparaginyl-L-leucyl-N6-(1-methylethyl)-L-lysyl-L-prolyl- 10; Abarelix-Depot-M; PPI-149; LS-181947; 183552-38-7; R-3827; Abarelix [USAN]; Plenaxis depot; PPI 149; CHEBI:337298; Plenaxis; Plenaxis (TN); R 3827; N-Acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(3-pyridyl)-D-alanyl-L-seryl-N-methyl-L-tyrosyl-D-asparaginyl-L-leucyl-N(sup 6)-isopropyl-L-lysyl-L-prolyl-D-alaninamide; N-acetyl-3-(2-naphthyl)-D-alanyl-4-chloro-D-phenylalanyl-3-(pyridin-3-yl)-D-alanyl-L-seryl-N-methyl-L-tyrosyl-D-asparginyl-L-leucyl-N(6)-isopropyl-L-lysyl-L-prolyl-D-alaninamide; CHEMBL1252; D02738
Trade NamePlenaxis
CompanySpeciality European Pharma
IndicationAdvanced prostate cancer
[ICD9: 185   ICD10: C61]
Approved    [1]
Structure

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InChI1S/C72H95ClN14O14/c1-41(2)32-54(64(93)80-53(17-10-11-30-77-42(3)4
)72(101)87-31-13-18-60(87)69(98)78-43(5)63(75)92)81-68(97)58(38-6
2(74)91)84-70(99)61(37-46-22-27-52(90)28-23-46)86(7)71(100)59(40-
88)85-67(96)57(36-48-14-12-29-76-39-48)83-66(95)56(34-45-20-25-51
(73)26-21-45)82-65(94)55(79-44(6)89)35-47-19-24-49-15-8-9-16-50(4
9)33-47/h8-9,12,14-16,19-29,33,39,41-43,53-61,77,88,90H,10-11,13,
17-18,30-32,34-38,40H2,1-7H3,(H2,74,91)(H2,75,92)(H,78,98)(H,79,8
9)(H,80,93)(H,81,97)(H,82,94)(H,83,95)(H,84,99)(H,85,96)/t43-,53+
,54+,55-,56-,57-,58-,59+,60+,61+/m1/s1
InChIKeyAIWRTTMUVOZGPW-HSPKUQOVSA-N
Canonical SMILESCC(C)CC(C(=O)NC(CCCCNC(C)C)C(=O)N1CCCC1C(=O)NC(C)C(=O)N)NC(=O)C(CC(=O)N)
NC(=O)C(CC2=CC=C(C=C2)O)N(C)C(=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](CCCCNC(C)C)NC(=O)[C@H](CC(C)
C)NC(=O)[C@@H](CC(=O)N)NC(=O)[C@H](CC2=CC=C(C=C2)O)N(C)C(=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 ClassAntineoplastic Agents
CAS NumberCAS 183552-38-7
FormulaC72H95ClN14O14
PubChem Compound IDCID 16131215.
PubChem Substance IDSID 743920.
SuperDrug ATC IDL02BX01
SuperDrug CAS ID183552387;
TargetGonadotropin-releasing hormoneInhibitor[1]
Ref 1Abarelix for injectable suspension: first-in-class gonadotropin-releasing hormone antagonist for prostate cancer. Future Oncol. 2006 Dec;2(6):677-96. To Reference



 

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