Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D00SOE
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| Former ID |
DNC008988
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| Drug Name |
KSG-YEKLSSIESDV
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| Indication | Discovery agent | Investigative | [529713] | ||
| Structure |
|
Download2D MOL |
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| Formula |
C66H108N16O26
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| Canonical SMILES |
CCC(C)C(C(=O)NC(CCC(=O)O)C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=<br />O)NC(C(C)C)C(=O)O)NC(=O)C(CO)NC(=O)C(CO)NC(=O)C(CC(C)C)<br />NC(=O)C(CCCCN)NC(=O)C(CCC(=O)O)NC(=O)C(CC1=CC=C(C=C1)O)<br />NC(=O)CNC(=O)C(CO)NC(=O)C(CCCCN)N
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| InChI |
1S/C66H108N16O26/c1-7-34(6)53(65(106)74-40(19-21-50(91)92)58(99)78-45(29-84)62(103)76-43(26-51(93)94)61(102)81-52(33(4)5)66(107)108)82-64(105)47(31-86)80-63(104)46(30-85)79-59(100)41(24-32(2)3)75-56(97)38(13-9-11-23-68)72-57(98)39(18-20-49(89)90)73-60(101)42(25-35-14-16-36(87)17-15-35)71-48(88)27-70-55(96)44(28-83)77-54(95)37(69)12-8-10-22-67/h14-17,32-34,37-47,52-53,83-87H,7-13,18-31,67-69H2,1-6H3,(H,70,96)(H,71,88)(H,72,98)(H,73,101)(H,74,106)(H,75,97)(H,76,103)(H,77,95)(H,78,99)(H,79,100)(H,80,104)(H,81,102)(H,82,105)(H,89,90)(H,91,92)(H,93,94)(H,107,108)/t34-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-,53-/m0/s1
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| InChIKey |
OYOJPGJCPOXGEB-QBAAMSOUSA-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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