Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D09VJI
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| Former ID |
DIB018339
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| Drug Name |
[3H]methyllycaconitine
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| Synonyms |
21019-30-7; MLK; 2byr; [(1S,2R,3R,4S,5R,6S,8R,9S,10S,13S,16S,17R,18S)-11-ethyl-8,9-dihydroxy-4,6,16,18-tetramethoxy-11-azahexacyclo[7721^{2,5}0^{1,10}0^{3,8}0^{13,17}]nonadecan-13-yl]methyl 2-[(3S)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzoate; GTPL3980; GTPL4005; ZINC24707797; BRD-K43192255-048-03-6; [(1beta,5alpha,6alpha,8alpha,9alpha,13alpha,14beta,16alpha)-20-ethyl-7,8-dihydroxy-1,6,14,16-tetramethoxyaconitan-4-yl]methyl
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
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Download2D MOL
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| Formula |
C37H50N2O10
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| Canonical SMILES |
CCN1CC2(CCC(C34C2C(C(C31)(C5(CC(C6CC4C5C6OC)OC)O)O)OC)OC)COC(=O)C7=CC=CC=C7N8C(=O)CC(C8=O)C
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| InChI |
1S/C37H50N2O10/c1-7-38-17-34(18-49-32(42)20-10-8-9-11-23(20)39-26(40)14-19(2)31(39)41)13-12-25(46-4)36-22-15-21-24(45-3)16-35(43,27(22)28(21)47-5)37(44,33(36)38)30(48-6)29(34)36/h8-11,19,21-22,24-25,27-30,33,43-44H,7,12-18H2,1-6H3/t19-,21+,22+,24-,25-,27+,28-,29+,30-,33-,34-,35+,36-,37+/m0/s1
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| InChIKey |
XLTANAWLDBYGFU-VTLKBQQISA-N
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| CAS Number |
CAS 1356-60-1
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Neuronal acetylcholine receptor alpha-10 (CHRNA10) | Target Info | Antagonist | [3] |
| Neuronal acetylcholine receptor alpha-7 (CHRNA7) | Target Info | Antagonist | [4], [5], [6] | |
| Neuronal acetylcholine receptor alpha-9 (CHRNA9) | Target Info | Antagonist | [7] | |
| 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 | ||||
| Reactome | Highly calcium permeable postsynaptic nicotinic acetylcholine receptors | |||
| WikiPathways | SIDS Susceptibility Pathways | |||
| Neurotransmitter Receptor Binding And Downstream Transmission In The Postsynaptic Cell | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 3980). | |||
| REF 2 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 4005). | |||
| REF 3 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 470). | |||
| REF 4 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 468). | |||
| REF 5 | Nicotine increases the expression of high affinity nerve growth factor receptors in both in vitro and in vivo. Life Sci. 2002 Feb 15;70(13):1543-54. | |||
| REF 6 | Experience of Black participants in the Lung Health Study smoking cessation intervention program. Nicotine Tob Res. 2001 Nov;3(4):375-82. | |||
| REF 7 | URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Target id: 469). | |||
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