Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D08YAF
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| Former ID |
DNC006638
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| Drug Name |
PLSQETFSDLWKLLPEN-NH2
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| Synonyms |
CHEMBL267823
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C93H142N22O28
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| Canonical SMILES |
CC(C)CC(C(=O)NC(CO)C(=O)NC(CCC(=O)N)C(=O)NC(CCC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CC1=CC=CC=C1)C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NC(CCCCN)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)N4CCCC4C(=O)NC(CCC(=O)O)C(=O)NC(CC(=O)N)C(=O)N)NC(=O)C5CCCN5
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| InChI |
1S/C93H142N22O28/c1-46(2)35-61(83(133)108-65(40-52-43-99-54-22-14-13-21-53(52)54)87(137)100-56(23-15-16-32-94)79(129)106-62(36-47(3)4)84(134)111-67(38-49(7)8)93(143)115-34-18-25-70(115)91(141)103-58(27-30-73(121)122)81(131)104-60(77(97)127)41-72(96)120)107-88(138)66(42-75(125)126)109-90(140)69(45-117)113-86(136)64(39-51-19-11-10-12-20-51)110-92(142)76(50(9)118)114-82(132)59(28-31-74(123)124)101-80(130)57(26-29-71(95)119)102-89(139)68(44-116)112-85(135)63(37-48(5)6)105-78(128)55-24-17-33-98-55/h10-14,19-22,43,46-50,55-70,76,98-99,116-118H,15-18,23-42,44-45,94H2,1-9H3,(H2,95,119)(H2,96,120)(H2,97,127)(H,100,137)(H,101,130)(H,102,139)(H,103,141)(H,104,131)(H,105,128)(H,106,129)(H,107,138)(H,108,133)(H,109,140)(H,110,142)(H,111,134)(H,112,135)(H,113,136)(H,114,132)(H,121,122)(H,123,124)(H,125,126)/t50-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69-,70-,76-/m0/s1
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| InChIKey |
JGQYEMDYGMNCJX-RDLTZJDDSA-N
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| PubChem Compound ID | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Structure-based design of spiro-oxindoles as potent, specific small-molecule inhibitors of the MDM2-p53 interaction. J Med Chem. 2006 Jun 15;49(12):3432-5. | |||
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