Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0J8PI
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| Former ID |
DNC005457
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| Drug Name |
Edotreotide
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| Synonyms |
Edotreotide; SMT-487; UNII-U194AS08HZ; 204318-14-9; U194AS08HZ; CHEMBL408350; DOTATOC; DOTA-D-PHE-CYS-TYR-D-TRP-LYS-THR-CYS-THR-OL (DISULFIDE BRIDGE: 2-7); SMT 487; Edotreotide [USAN:INN]; DOTA-TOC acetate; AC1L4KLV; SCHEMBL1649285; SCHEMBL19712197; RZHKDBRREKOZEW-AAXZNHDCSA-N; BDBM50165171; N-((4,7,10-Tris(carboxymethyl)-1,4,7,10-tetraazacycoldodec-1-yl)acetyl-D-phenylalanyl-L-cysteinyl-L-tyrosyl-D-tryprophyl-L-lysyl-L-threonyl-N-((1R,2R)-2-hydroxy-1-(hydroxymethyl)propyl)-L-cysteinamide cyclic (2-7)-disulfide
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| Indication | Acromegaly [ICD-11: 5A60.0; ICD-10: E22.0; ICD-9: 253] | Phase 2 | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C65H92N14O18S2
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| Canonical SMILES |
CC(C1C(=O)NC(CSSCC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCCN)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O)NC(=O)C(CC5=CC=CC=C5)NC(=O)CN6CCN(CCN(CCN(CC6)CC(=O)O)CC(=O)O)CC(=O)O)C(=O)NC(CO)C(C)O)O
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| InChI |
1S/C65H92N14O18S2/c1-39(81)51(36-80)72-64(96)53-38-99-98-37-52(73-60(92)48(28-41-10-4-3-5-11-41)68-54(84)32-76-20-22-77(33-55(85)86)24-26-79(35-57(89)90)27-25-78(23-21-76)34-56(87)88)63(95)70-49(29-42-15-17-44(83)18-16-42)61(93)71-50(30-43-31-67-46-13-7-6-12-45(43)46)62(94)69-47(14-8-9-19-66)59(91)75-58(40(2)82)65(97)74-53/h3-7,10-13,15-18,31,39-40,47-53,58,67,80-83H,8-9,14,19-30,32-38,66H2,1-2H3,(H,68,84)(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,91)(H,85,86)(H,87,88)(H,89,90)/t39-,40-,47+,48-,49+,50-,51-,52+,53+,58+/m1/s1
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| InChIKey |
RZHKDBRREKOZEW-AAXZNHDCSA-N
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| CAS Number |
CAS 204318-14-9
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Somatostatin receptor (SSTR) | Target Info | Modulator | [3] |
| 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: 5638). | |||
| REF 2 | ClinicalTrials.gov (NCT00006370) Radiolabeled SMT-487 (Yttrium Y 90-DOTA-tyr3-octreotide) in Treating Patients With Refractory Small Cell Lung Cancer or Metastatic Breast Cancer. U.S. National Institutes of Health. | |||
| REF 3 | Interpreting expression profiles of cancers by genome-wide survey of breadth of expression in normal tissues. Genomics 2005 Aug;86(2):127-41. | |||
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