Drugs Information: Degarelix
Basic Information
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| ID | DDInter493 | |
| Drug Type | small molecule | |
| Molecular Formula | C82H103Cln18O16 | |
| Molecular Weight | - | |
| Description | Degarelix is a GnRH receptor antagonist used in the management of advanced prostate cancer. | |
| ATC Classification | L02BX02 | |
| IUPAC Name | (4S)-N-{4-[(2S)-2-{[(1R)-2-[4-(Carbamoylamino)Phenyl]-1-{[(1S)-1-{[(2S)-1-[(2S)-2-{[(1R)-1-Carbamoylethyl]Carbamoyl}Pyrrolidin-1 | |
| InChI | Inchi=1S/C82H103Cln18O16/C1-45(2)35-60(72(107)92-59(16-9-10-33-87-46(3)4)80(115)101-34-12-17-68(101)79(114)88-47(5)70(84)105)93-74(109)63(38-51-23-30-58(31-24-51)91-81(85)116)95-76(111)64(39-50-21-28-57(29-22-50)90-71(106)66-42-69(104)100-82(117)99-66)97-78(113)67(44-102)98-77(112)65(41-53-13-11-32-86-43-53)96-75(110)62(37-49-19-26-56(83)27-20-49)94-73(108)61(89-48(6)103)40-52-18-25-54-14-7-8-15-55(54)36-52/H7-8,11,13-15,18-32,36,43,45-47,59-68,87,102H,9-10,12,16-17,33-35,37-42,44H2,1-6H3,(H2,84,105)(H,88,114)(H,89,103)(H,90,106)(H,92,107)(H,93,109)(H,94,108)(H,95,111)(H,96,110)(H,97,113)(H,98,112)(H3,85,91,116)(H2,99,100,104,117)/T47-,59+,60+,61-,62-,63-,64+,65-,66+,67+,68+/M1/S1 | |
| InChI Key | MEUCPCLKGZSHTA-XYAYPHGZSA-N | |
| Canonical SMILES | CC(C)C[C@H](NC(=O)[C@@H](CC1=CC=C(NC(N)=O)C=C1)NC(=O)[C@H](CC1=CC=C(NC(=O)[C@@H]2CC(=O)NC(=O)N2)C=C1)NC(=O)[C@H](CO)NC(=O)[C@@H](CC1=CC=CN=C1)NC(=O)[C@@H](CC1=CC=C(Cl)C=C1)NC(=O)[C@@H](CC1=CC=C2C=CC=CC2=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 Degarelix
| Severity level | ID | Name | Mechanism | Detail |
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