Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D02LWF
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| Former ID |
DNC005339
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| Drug Name |
GCCSHPACAGNNQHIC*
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| Synonyms |
CHEMBL437423; GCCSHPACAGNNQHIC*
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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 |
C61H96N24O20S4
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| Canonical SMILES |
CCC(C)C(C(=O)NC(CS)C(=O)N)NC(=O)C(CC1=CN=CN1)NC(=O)C(CCC(=O)N)NC(=O)C(CC(=O)N)NC(=O)C(CC(=O)N)NC(=O)CNC(=O)C(C)NC(=O)C(CS)NC(=O)C(C)NC(=O)C2CCCN2C(=O)C(CC3=CN=CN3)NC(=O)C(CO)NC(=O)C(CS)NC(=O)C(CS)NC(=O)CN
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| InChI |
1S/C61H96N24O20S4/c1-5-26(2)47(60(104)81-37(20-106)48(66)92)84-54(98)32(11-29-16-67-24-70-29)77-51(95)31(8-9-42(63)87)76-53(97)34(14-44(65)89)78-52(96)33(13-43(64)88)74-46(91)18-69-49(93)27(3)72-56(100)39(22-108)82-50(94)28(4)73-59(103)41-7-6-10-85(41)61(105)35(12-30-17-68-25-71-30)79-55(99)36(19-86)80-58(102)40(23-109)83-57(101)38(21-107)75-45(90)15-62/h16-17,24-28,31-41,47,86,106-109H,5-15,18-23,62H2,1-4H3,(H2,63,87)(H2,64,88)(H2,65,89)(H2,66,92)(H,67,70)(H,68,71)(H,69,93)(H,72,100)(H,73,103)(H,74,91)(H,75,90)(H,76,97)(H,77,95)(H,78,96)(H,79,99)(H,80,102)(H,81,104)(H,82,94)(H,83,101)(H,84,98)/t26-,27-,28-,31-,32-,33-,34-,35-,36-,37-,38-,39-,40-,41-,47-/m0/s1
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| InChIKey |
UCMCIMRDJCGRNT-KLMBZYLCSA-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] | |
| KEGG Pathway | Neuroactive ligand-receptor interaction | |||
| Cholinergic synapse | ||||
| Nicotine addiction | ||||
| Calcium signaling pathway | ||||
| Chemical carcinogenesis | ||||
| Panther Pathway | Nicotinic acetylcholine receptor signaling pathway | |||
| Nicotine pharmacodynamics pathway | ||||
| Alzheimer disease-amyloid secretase pathway | ||||
| Reactome | Highly sodium permeable acetylcholine nicotinic receptors | |||
| Highly calcium permeable postsynaptic nicotinic acetylcholine 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 | ||||
| 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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