Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D05QKO
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| Former ID |
DIB012863
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| Drug Name |
NBI-5788
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| Synonyms |
Tiplimotide; CGP-77116; MSP-771; MSP-771A; APL (multiple sclerosis), Neurocrine/Novartis; Altered peptide ligand (MS), Neurocrine/Novartis
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| Indication | Multiple sclerosis [ICD-11: 8A40; ICD-9: 340] | Phase 2 | [1] | |
| Company |
Neurocrine Biosciences Inc
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| Structure |
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Download2D MOL |
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| Formula |
C87H142N24O21
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| Canonical SMILES |
CCC(C)C(C(=O)NC(C(C)C)C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)NC(CCCN=C(N)N)C(=O)NC(C(C)O)C(=O)N2CCCC2C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(C)NC(=O)C(CC3=CC=CC=C3)NC(=O)C(CC(C)C)NC(=O)C(CC4=CN=CN4)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)C5CCCN5C(=O)C(CCCCN)NC(=O)C(C)N
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| InChI |
1S/C87H142N24O21/c1-15-47(10)67(82(127)105-66(46(8)9)81(126)108-69(51(14)113)84(129)110-35-23-29-60(110)77(122)97-54(28-21-33-94-87(91)92)72(117)107-68(50(13)112)85(130)111-36-24-31-62(111)86(131)132)106-76(121)59(40-63(90)114)99-71(116)49(12)96-73(118)57(38-52-25-17-16-18-26-52)101-74(119)56(37-43(2)3)100-75(120)58(39-53-41-93-42-95-53)102-79(124)64(44(4)5)104-80(125)65(45(6)7)103-78(123)61-30-22-34-109(61)83(128)55(27-19-20-32-88)98-70(115)48(11)89/h16-18,25-26,41-51,54-62,64-69,112-113H,15,19-24,27-40,88-89H2,1-14H3,(H2,90,114)(H,93,95)(H,96,118)(H,97,122)(H,98,115)(H,99,116)(H,100,120)(H,101,119)(H,102,124)(H,103,123)(H,104,125)(H,105,127)(H,106,121)(H,107,117)(H,108,126)(H,131,132)(H4,91,92,94)/t47?,48-,49+,50?,51?,54+,55+,56+,57+,58+,59+,60+,61+,62+,64+,65+,66+,67+,68+,69+/m1/s1
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| InChIKey |
NITUEMISTORFON-OOMTWUQISA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Myelin basic protein (MBP) | Target Info | Binder | [2] |
| WikiPathways | MAPK Cascade | |||
| Structural Pathway of Interleukin 1 (IL-1) | ||||
| Spinal Cord Injury | ||||
| Glial Cell Differentiation | ||||
| Neural Crest Differentiation | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | ClinicalTrials.gov (NCT00001781) Safety, Tolerability, and Effectiveness of CGP77116 in Patients With Multiple Sclerosis (MS). U.S. National Institutes of Health. | |||
| REF 2 | NBI-5788, an altered MBP83-99 peptide, induces a T-helper 2-like immune response in multiple sclerosis patients. Ann Neurol. 2000 Nov;48(5):758-65. | |||
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