Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D04PEM
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| Former ID |
DNC007767
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| Drug Name |
LTERHKILHRLLQEGSPSD
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| Indication | Discovery agent | Investigative | [528885] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C96H161N31O30
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| Canonical SMILES |
CCC(C)C(C(=O)NC(CC(C)C)C(=O)NC(CC1=CNC=N1)C(=O)NC(CCCNC<br />(=N)N)C(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)N)C(<br />=O)NC(CCC(=O)O)C(=O)NCC(=O)NC(CO)C(=O)N2CCCC2C(=O)NC(CO<br />)C(=O)NC(CC(=O)O)C(=O)O)NC(=O)C(CCCCN)NC(=O)C(CC3=CNC=N<br />3)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCC(=O)O)NC(=O)C(C(C)O)NC(<br />=O)C(CC(C)C)N
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| InChI |
1S/C96H161N31O30/c1-12-50(10)75(125-83(145)55(18-13-14-28-97)113-87(149)64(36-52-39-104-44-109-52)120-80(142)56(19-15-29-106-95(100)101)112-82(144)60(24-27-73(135)136)117-92(154)76(51(11)130)126-77(139)54(98)32-46(2)3)91(153)122-63(35-49(8)9)86(148)121-65(37-53-40-105-45-110-53)88(150)114-57(20-16-30-107-96(102)103)79(141)118-62(34-48(6)7)85(147)119-61(33-47(4)5)84(146)116-59(22-25-70(99)131)81(143)115-58(23-26-72(133)134)78(140)108-41-71(132)111-68(43-129)93(155)127-31-17-21-69(127)90(152)124-67(42-128)89(151)123-66(94(156)157)38-74(137)138/h39-40,44-51,54-69,75-76,128-130H,12-38,41-43,97-98H2,1-11H3,(H2,99,131)(H,104,109)(H,105,110)(H,108,140)(H,111,132)(H,112,144)(H,113,149)(H,114,150)(H,115,143)(H,116,146)(H,117,154)(H,118,141)(H,119,147)(H,120,142)(H,121,148)(H,122,153)(H,123,151)(H,124,152)(H,125,145)(H,126,139)(H,133,134)(H,135,136)(H,137,138)(H,156,157)(H4,100,101,106)(H4,102,103,107)/t50-,51+,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-,64-,65-,66-,67-,68-,69?,75-,76-/m0/s1
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| InChIKey |
QPHCCOQIWMPOQX-KTGODZLYSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Estrogen receptor | Target Info | Inhibitor | [528885] | |
| Pathway Interaction Database | Regulation of nuclear SMAD2/3 signaling | ||||
| Signaling events mediated by HDAC Class II | |||||
| Plasma membrane estrogen receptor signaling | |||||
| LKB1 signaling events | |||||
| Regulation of Telomerase | |||||
| ATF-2 transcription factor network | |||||
| AP-1 transcription factor network | |||||
| FOXM1 transcription factor network | |||||
| Validated nuclear estrogen receptor alpha network | |||||
| Signaling mediated by p38-alpha and p38-beta | |||||
| FOXA1 transcription factor network | |||||
| References | |||||
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