nafarelin (synarel) Report issue

Small molecule Orphan Drug FDA Approved FDA
AACT ChEMBL DrugBank Drug Central Drugs@FDA KEGG MeSH PubChem repoDB

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Chemistry

Mol. Mass

1322.5

ALogP

Missing data

Rule of 5

Missing data

Rule of 3

Missing data
Details
  • SMILES: CC(C)C[C@H](NC(=O)[C@@H](Cc1cccc2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CCC(=O)N1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)NCC(N)=O
  • InChIKey: PPXLVGBVOZLEIW-ITQXDASVSA-N
    InChI=1S/C66H83N17O13/c1-36(2)26-48(58(89)76-47(16-8-24-71-66(68)69)65(96)83-25-9-17-54(83)64(95)73-33-55(67)86)77-60(91)50(28-39-12-7-11-38-10-3-4-13-43(38)39)79-59(90)49(27-37-18-20-42(85)21-19-37)78-63(94)53(34-84)82-61(92)51(29-40-31-72-45-15-6-5-14-44(40)45)80-62(93)52(30-41-32-70-35-74-41)81-57(88)46-22-23-56(87)75-46/h3-7,10-15,18-21,31-32,35-36,46-54,72,84-85H,8-9,16-17,22-30,33-34H2,1-2H3,(H2,67,86)(H,70,74)(H,73,95)(H,75,87)(H,76,89)(H,77,91)(H,78,94)(H,79,90)(H,80,93)(H,81,88)(H,82,92)(H4,68,69,71)/t46-,47-,48-,49-,50+,51-,52-,53-,54-/m0/s1
  • Chirality: Single Stereoisomer
  • Inorganic: No
  • Polymer: No

Sources

CHEMBL1201309   ChEMBL
nafarelin *

CHEMBL1200671   ChEMBL
nafarelin acetate

1X0094V6JV   NCATS
nafarelin *

Nafarelin   Wikipedia

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