Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0HB5V
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| Former ID |
DIB010723
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| Drug Name |
CN-2097
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| Synonyms |
NMDA receptor 2B modulator (neurological diseases), Ardane Therapeutics; PDZ binding domain-targeting peptidomimetic (neurological diseases), Ardane Therapeutics
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| Indication | Neurological disorder [ICD-11: 6B60] | Investigative | [1] | |
| Company |
Ardane Therapeutics Inc
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| Structure |
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Download2D MOL
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| Formula |
C96H174N44O23S2
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| Canonical SMILES |
CC(C)C(C(=O)O)N=C(C1CCC(=NCCC(=NCCCCC(C(=NC(C(=N1)O)C(C)O)O)N=C(C(CCCCN)N=C(C(CC2=CC=C(C=C2)O)N=C(C(CC(=N)O)N=C(C(CCCCN)N=C(C(CSSCC(C(=NC(CCCNC(=N)N)C(=NC(CCCNC(=N)N)C(=NC(CCCNC(=N)N)C(=NC(CCCNC(=N)N)C(=NC(CCCNC(=N)N)C(=NC(CCCNC(=N)N)C(=NC(CCCNC(=N)N)C(=N)O)O)O)O)O)O)O)O)N)N)O)O)O)O)O)O)O)O
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| InChI |
1S/C96H174N44O23S2/c1-49(2)71(89(162)163)139-85(158)65-31-32-69(144)118-44-33-70(145)117-36-9-6-19-58(84(157)140-72(50(3)141)88(161)136-65)129-77(150)57(18-5-8-35-98)135-86(159)66(45-51-27-29-52(142)30-28-51)137-87(160)67(46-68(101)143)138-83(156)56(17-4-7-34-97)127-74(147)53(99)47-164-165-48-54(100)75(148)128-59(21-11-38-120-91(105)106)78(151)131-61(23-13-40-122-93(109)110)80(153)133-63(25-15-42-124-95(113)114)82(155)134-64(26-16-43-125-96(115)116)81(154)132-62(24-14-41-123-94(111)112)79(152)130-60(22-12-39-121-92(107)108)76(149)126-55(73(102)146)20-10-37-119-90(103)104/h27-30,49-50,53-67,71-72,141-142H,4-26,31-48,97-100H2,1-3H3,(H2,101,143)(H2,102,146)(H,117,145)(H,118,144)(H,126,149)(H,127,147)(H,128,148)(H,129,150)(H,130,152)(H,131,151)(H,132,154)(H,133,153)(H,134,155)(H,135,159)(H,136,161)(H,137,160)(H,138,156)(H,139,158)(H,140,157)(H,162,163)(H4,103,104,119)(H4,105,106,120)(H4,107,108,121)(H4,109,110,122)(H4,111,112,123)(H4,113,114,124)(H4,115,116,125)/t50-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,66+,67+,71+,72+/m1/s1
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| InChIKey |
YVHNLJSCOYUIPK-YPBSVZMPSA-N
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| PubChem Compound ID | ||||
| 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. (Target id: 457). | |||
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