Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0UJ6V
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| Former ID |
DNC008989
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| Drug Name |
KSG-LDTKNYKQTSV
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| Indication | Discovery agent | Investigative | [529713] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C67H113N19O24
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| Canonical SMILES |
CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NC(C(C)O)C(=O)NC(CCCCN)C(=<br />O)NC(CC(=O)N)C(=O)NC(CC1=CC=C(C=C1)O)C(=O)NC(CCCCN)C(=O<br />)NC(CCC(=O)N)C(=O)NC(C(C)O)C(=O)NC(CO)C(=O)NC(C(C)C)C(=<br />O)O)NC(=O)CNC(=O)C(CO)NC(=O)C(CCCCN)N
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| InChI |
1S/C67H113N19O24/c1-32(2)25-42(75-50(94)29-74-56(98)46(30-87)82-55(97)38(71)13-7-10-22-68)60(102)81-45(28-51(95)96)63(105)86-53(34(5)89)65(107)78-40(15-9-12-24-70)58(100)80-44(27-49(73)93)62(104)79-43(26-36-16-18-37(91)19-17-36)61(103)76-39(14-8-11-23-69)57(99)77-41(20-21-48(72)92)59(101)85-54(35(6)90)66(108)83-47(31-88)64(106)84-52(33(3)4)67(109)110/h16-19,32-35,38-47,52-54,87-91H,7-15,20-31,68-71H2,1-6H3,(H2,72,92)(H2,73,93)(H,74,98)(H,75,94)(H,76,103)(H,77,99)(H,78,107)(H,79,104)(H,80,100)(H,81,102)(H,82,97)(H,83,108)(H,84,106)(H,85,101)(H,86,105)(H,95,96)(H,109,110)/t34-,35-,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,52+,53+,54+/m1/s1
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| InChIKey |
LZIFLRQJFWVNPC-NBGMAUTBSA-N
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| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Presynaptic density protein 95 | Target Info | Inhibitor | [529713] | |
| PANTHER Pathway | Huntington disease | ||||
| Pathway Interaction Database | ErbB4 signaling events | ||||
| References | |||||
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