Drugs Information: Abarelix
Basic Information
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| ID | DDInter4 | |
| Drug Type | small molecule | |
| Molecular Formula | C72H95Cln14O14 | |
| Molecular Weight | - | |
| Description | Synthetic decapeptide antagonist to gonadotropin releasing hormone (GnRH). It is marketed by Praecis Pharmaceuticals as Plenaxis. Praecis announced in June 2006 that it was voluntarily withdrawing the drug from the market. | |
| ATC Classification | L02BX01 | |
| IUPAC Name | (2R)-N-[(1S)-1-{[(2S)-1-[(2S)-2-{[(1R)-1-Carbamoylethyl]Carbamoyl}Pyrrolidin-1-Yl]-1-Oxo-6-[(Propan-2-Yl)Amino]Hexan-2-Yl]Carbam | |
| InChI | Inchi=1S/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(38-62(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(49)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,79,89)(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 | |
| InChI Key | AIWRTTMUVOZGPW-HSPKUQOVSA-N | |
| Canonical SMILES | CC(C)C[C@H](NC(=O)[C@@H](CC(N)=O)NC(=O)[C@H](CC1=CC=C(O)C=C1)N(C)C(=O)[C@H](CO)NC(=O)[C@@H](CC1=CN=CC=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC2=C(C=CC=C2)C=C1)NC(C)=O)C(=O)N[C@@H](CCCCNC(C)C)C(=O)N1CCC[C@H]1C(=O)N[C@H](C)C(N)=O | |
| Useful Links | DrugBank ChEMBL PubChem | |
Interactions with Abarelix
| Severity level | ID | Name | Mechanism | Detail |
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