Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0UH8F
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| Former ID |
DNC005361
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| Drug Name |
GCCSNPVCHLEHSNLC*
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| Synonyms |
CHEMBL265198; GCCSNPVCHLEHSNLC*
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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 |
C67H107N23O22S4
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| Canonical SMILES |
CC(C)CC(C(=O)NC(CCC(=O)O)C(=O)NC(CC1=CN=CN1)C(=O)NC(CO)C(=O)NC(CC(=O)N)C(=O)NC(CC(C)C)C(=O)NC(CS)C(=O)N)NC(=O)C(CC2=CN=CN2)NC(=O)C(CS)NC(=O)C(C(C)C)NC(=O)C3CCCN3C(=O)C(CC(=O)N)NC(=O)C(CO)NC(=O)C(CS)NC(=O)C(CS)NC(=O)CN
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| InChI |
1S/C67H107N23O22S4/c1-29(2)12-35(55(100)77-34(9-10-51(96)97)54(99)80-38(15-33-20-73-28-75-33)58(103)84-41(21-91)60(105)82-39(16-48(69)93)59(104)79-36(13-30(3)4)56(101)86-43(23-113)53(71)98)78-57(102)37(14-32-19-72-27-74-32)81-63(108)46(26-116)88-66(111)52(31(5)6)89-65(110)47-8-7-11-90(47)67(112)40(17-49(70)94)83-61(106)42(22-92)85-64(109)45(25-115)87-62(107)44(24-114)76-50(95)18-68/h19-20,27-31,34-47,52,91-92,113-116H,7-18,21-26,68H2,1-6H3,(H2,69,93)(H2,70,94)(H2,71,98)(H,72,74)(H,73,75)(H,76,95)(H,77,100)(H,78,102)(H,79,104)(H,80,99)(H,81,108)(H,82,105)(H,83,106)(H,84,103)(H,85,109)(H,86,101)(H,87,107)(H,88,111)(H,89,110)(H,96,97)/t34-,35-,36-,37-,38-,39-,40-,41-,42-,43-,44-,45-,46-,47-,52-/m0/s1
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| InChIKey |
MLPOWHAMUPIMTC-XCQLYXDWSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Neuronal acetylcholine receptor alpha-7 (CHRNA7) | Target Info | Inhibitor | [1] |
| Neuronal acetylcholine receptor beta-2 (CHRNB2) | Target Info | Inhibitor | [1] | |
| Neuronal acetylcholine receptor beta-4 (CHRNB4) | Target Info | Inhibitor | [1] | |
| KEGG Pathway | Calcium signaling pathway | |||
| Neuroactive ligand-receptor interaction | ||||
| Cholinergic synapse | ||||
| Nicotine addiction | ||||
| Chemical carcinogenesis | ||||
| Panther Pathway | Alzheimer disease-amyloid secretase pathway | |||
| Nicotinic acetylcholine receptor signaling pathway | ||||
| Nicotine pharmacodynamics pathway | ||||
| Reactome | Highly calcium permeable postsynaptic nicotinic acetylcholine receptors | |||
| Highly sodium permeable acetylcholine nicotinic receptors | ||||
| Highly calcium permeable nicotinic acetylcholine receptors | ||||
| WikiPathways | SIDS Susceptibility Pathways | |||
| Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell | ||||
| Nicotine Activity on Dopaminergic Neurons | ||||
| Nicotine Activity on Chromaffin Cells | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | Neuronal nicotinic acetylcholine receptors: structural revelations, target identifications, and therapeutic inspirations. J Med Chem. 2005 Jul 28;48(15):4705-45. | |||
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