Drug Information
| Drug General Information | |||||
|---|---|---|---|---|---|
| Drug ID |
D0Z2EV
|
||||
| Former ID |
DNC013622
|
||||
| Drug Name |
Conantokin-R
|
||||
| Indication | Discovery agent | Investigative | [529118] | ||
| Structure |
|
Download2D MOL |
|||
| Formula |
C126H202N34O48S3
|
||||
| Canonical SMILES |
CCC(C)C(C(=O)NC(C)C(=O)NC(CCCCN)C(=O)NCC(=O)NC(CS)C(=O)<br />NC(CCCCN)C(=O)NC(C(C)C)C(=O)NC(CC(=O)N)C(=O)NC(CS)C(=O)<br />NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)O)NC(=O)C(CC(=O)N)N<br />C(=O)C(CC(C(=O)O)C(=O)O)C(CCCNC(=N)N)NC(=O)C(C)NC(=O)C(<br />CC(C)C)NC(=O)C(CC(C(=O)O)C(=O)O)NC(=O)C(C)NC(=O)C(C)NC(<br />=O)C(CCSC)NC(=O)C(CCCCN)NC(=O)C(C)NC(=O)C(C(C)C)NC(=O)C<br />(CC(C(=O)O)C(=O)O)NC(=O)C(CC(C(=O)O)C(=O)O)NC(=O)C(CCC(<br />=O)O)NC(=O)CN
|
||||
| InChI |
1S/C126H202N34O48S3/c1-15-57(8)93(115(189)141-62(13)96(170)145-71(24-16-19-36-127)100(174)136-51-89(165)143-83(52-209)111(185)147-73(26-18-21-38-129)104(178)157-92(56(6)7)114(188)154-80(48-86(131)162)108(182)156-84(53-210)112(186)155-82(43-63-29-31-64(161)32-30-63)116(190)160-40-23-28-85(160)125(207)208)159-110(184)81(49-87(132)163)150-99(173)65(44-66(117(191)192)118(193)194)70(27-22-39-135-126(133)134)144-95(169)60(11)139-105(179)76(42-54(2)3)151-106(180)77(45-67(119(195)196)120(197)198)149-98(172)59(10)137-94(168)58(9)138-101(175)75(35-41-211-14)148-102(176)72(25-17-20-37-128)146-97(171)61(12)140-113(187)91(55(4)5)158-109(183)79(47-69(123(203)204)124(205)206)153-107(181)78(46-68(121(199)200)122(201)202)152-103(177)74(33-34-90(166)167)142-88(164)50-130/h29-32,54-62,65-85,91-93,161,209-210H,15-28,33-53,127-130H2,1-14H3,(H2,131,162)(H2,132,163)(H,136,174)(H,137,168)(H,138,175)(H,139,179)(H,140,187)(H,141,189)(H,142,164)(H,143,165)(H,144,169)(H,145,170)(H,146,171)(H,147,185)(H,148,176)(H,149,172)(H,150,173)(H,151,180)(H,152,177)(H,153,181)(H,154,188)(H,155,186)(H,156,182)(H,157,178)(H,158,183)(H,159,184)(H,166,167)(H,191,192)(H,193,194)(H,195,196)(H,197,198)(H,199,200)(H,201,202)(H,203,204)(H,205,206)(H,207,208)(H4,133,134,135)/t57-,58-,59-,60-,61-,62-,65?,70-,71-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,91-,92-,93-/m0/s1
|
||||
| InChIKey |
XIRRXDGMZVHVEG-AZOPZXLDSA-N
|
||||
| PubChem Compound ID | |||||
| Target and Pathway | |||||
| Target(s) | Glutamate [NMDA] receptor subunit epsilon 2 | Target Info | Inhibitor | [529118] | |
| Glutamate [NMDA] receptor subunit epsilon 1 | Target Info | Inhibitor | [529118] | ||
| KEGG Pathway | Ras signaling pathway | ||||
| Rap1 signaling pathway | |||||
| cAMP signaling pathway | |||||
| Neuroactive ligand-receptor interaction | |||||
| Circadian entrainment | |||||
| Long-term potentiation | |||||
| Glutamatergic synapse | |||||
| Dopaminergic synapse | |||||
| Alzheimer's disease | |||||
| Amyotrophic lateral sclerosis (ALS) | |||||
| Huntington's disease | |||||
| Cocaine addiction | |||||
| Amphetamine addiction | |||||
| Nicotine addiction | |||||
| Alcoholism | |||||
| Systemic lupus erythematosushsa04014:Ras signaling pathway | |||||
| Calcium signaling pathway | |||||
| Systemic lupus erythematosus | |||||
| PANTHER Pathway | Huntington disease | ||||
| Ionotropic glutamate receptor pathway | |||||
| Metabotropic glutamate receptor group III pathway | |||||
| Metabotropic glutamate receptor group I pathway | |||||
| Muscarinic acetylcholine receptor 1 and 3 signaling pathwayP00029:Huntington disease | |||||
| Muscarinic acetylcholine receptor 1 and 3 signaling pathway | |||||
| Pathway Interaction Database | ErbB4 signaling events | ||||
| Reelin signaling pathwayreelinpathway:Reelin signaling pathway | |||||
| Reactome | EPHB-mediated forward signaling | ||||
| Unblocking of NMDA receptor, glutamate binding and activation | |||||
| CREB phosphorylation through the activation of CaMKII | |||||
| Ras activation uopn Ca2+ infux through NMDA receptor | |||||
| RAF/MAP kinase cascadeR-HSA-438066:Unblocking of NMDA receptor, glutamate binding and activation | |||||
| RAF/MAP kinase cascade | |||||
| References | |||||
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.