Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0H2UT
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| Former ID |
DIB019029
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| Drug Name |
brucine
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| Synonyms |
10,11-dimethoxy strychnine
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| Drug Type |
Small molecular drug
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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 |
C23H26N2O4
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| Canonical SMILES |
COC1=C(C=C2C(=C1)C34CCN5C3CC6C7C4N2C(=O)CC7OCC=C6C5)OC
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| InChI |
1S/C23H26N2O4/c1-27-16-8-14-15(9-17(16)28-2)25-20(26)10-18-21-13-7-19-23(14,22(21)25)4-5-24(19)11-12(13)3-6-29-18/h3,8-9,13,18-19,21-22H,4-7,10-11H2,1-2H3/t13-,18-,19-,21-,22-,23+/m0/s1
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| InChIKey |
RRKTZKIUPZVBMF-IBTVXLQLSA-N
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| CAS Number |
CAS 357-57-3
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| PubChem Compound ID | ||||
| PubChem Substance ID |
11276, 598388, 840738, 10298947, 14719301, 14903268, 24864782, 26746579, 36885681, 46386939, 47657001, 47880005, 49681539, 57403888, 76762786, 85842983, 87563676, 87563907, 92308664, 93622920, 103654800, 104626693, 118964464, 119501368, 124659063, 124812305, 126609088, 129171059, 134973275, 135652672, 136368363, 136904068, 137171662, 144101886, 144204902, 144212491, 152095097, 152164256, 152248216, 162091246, 162180531, 163123724, 163350061, 163614688, 172080451, 179230492, 198939562, 204378260, 223439149, 223534016
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| ChEBI ID |
CHEBI:3193
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| 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: 342). | |||
| REF 2 | Subtype-selective positive cooperative interactions between brucine analogues and acetylcholine at muscarinic receptors: radioligand binding studies. Mol Pharmacol. 1998 Mar;53(3):573-89. | |||
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