Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0O7DG
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| Former ID |
DNAP001433
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| Drug Name |
Histrelin
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| Synonyms |
Supprelin (TN)
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| Drug Type |
Small molecular drug
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| Indication | Central precocious puberty [ICD-11: 5A60.3] | Approved | [1], [2] | |
| Endometriosis [ICD-11: GA10; ICD-10: N80, N80.9] | Approved | [1], [2] | ||
| Polycystic ovarian syndrome [ICD-11: 5A80.1; ICD-10: E28.2] | Approved | [1], [2] | ||
| Company |
Roberts
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| Structure |
 |
Download2D MOL |
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| Formula |
C66H86N18O12
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| Canonical SMILES |
CCNC(=O)C1CCCN1C(=O)C(CCCN=C(N)N)NC(=O)C(CC(C)C)NC(=O)C(CC2=CN(C=N2)CC3=CC=CC=C3)NC(=O)C(CC4=CC=C(C=C4)O)NC(=O)C(CO)NC(=O)C(CC5=CNC6=CC=CC=C65)NC(=O)C(CC7=CN=CN7)NC(=O)C8CCC(=O)N8
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| InChI |
1S/C66H86N18O12/c1-4-70-64(95)55-17-11-25-84(55)65(96)48(16-10-24-71-66(67)68)76-58(89)49(26-38(2)3)77-62(93)53(30-43-34-83(37-74-43)33-40-12-6-5-7-13-40)81-59(90)50(27-39-18-20-44(86)21-19-39)78-63(94)54(35-85)82-60(91)51(28-41-31-72-46-15-9-8-14-45(41)46)79-61(92)52(29-42-32-69-36-73-42)80-57(88)47-22-23-56(87)75-47/h5-9,12-15,18-21,31-32,34,36-38,47-55,72,85-86H,4,10-11,16-17,22-30,33,35H2,1-3H3,(H,69,73)(H,70,95)(H,75,87)(H,76,89)(H,77,93)(H,78,94)(H,79,92)(H,80,88)(H,81,90)(H,82,91)(H4,67,68,71)/t47-,48-,49-,50-,51-,52-,53+,54-,55-/m0/s1
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| InChIKey |
HHXHVIJIIXKSOE-QILQGKCVSA-N
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| CAS Number |
CAS 76712-82-8
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:5739
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| ADReCS Drug ID | BADD_D01073 ; BADD_D01074 | |||
| SuperDrug ATC ID |
L02AE05
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| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3884). | |||
| REF 2 | Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015 | |||
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