Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0K5NZ
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| Former ID |
DNC005817
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| Drug Name |
MESULERGINE
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| Synonyms |
Mesulergine; Mesulerginum; Mesulergina; Mesulergine [INN]; Mesulerginum [INN-Latin]; UNII-SML95FK06I; Mesulergina [INN-Spanish]; 64795-35-3; N'-(1,6-Dimethylergolin-8alpha-yl)-N,N-dimethylsulfamide; SML95FK06I; CQ 32085; CHEMBL12314; C18H26N4O2S; CHEBI:73378; 3-(1,6-Dimethyl-8alpha-ergolinyl)-1,1-dimethylsulfamid; NCGC00163168-01; DSSTox_RID_81540; DSSTox_CID_26324; DSSTox_GSID_46324; CU-32085; N'-[(8alpha)-1,6-dimethylergolin-8-yl]-N,N-dimethylsulfuric diamide; CAS-64795-35-3; AC1L2AKM; Biomol-NT_000077; AC1Q6V4R; GTPL206
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
 |
Download2D MOL |
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| Formula |
C18H26N4O2S
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| Canonical SMILES |
CN1CC(CC2C1CC3=CN(C4=CC=CC2=C34)C)NS(=O)(=O)N(C)C
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| InChI |
1S/C18H26N4O2S/c1-20(2)25(23,24)19-13-9-15-14-6-5-7-16-18(14)12(10-21(16)3)8-17(15)22(4)11-13/h5-7,10,13,15,17,19H,8-9,11H2,1-4H3/t13-,15+,17+/m0/s1
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| InChIKey |
JLVHTNZNKOSCNB-YSVLISHTSA-N
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| CAS Number |
CAS 64795-35-3
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| PubChem Compound ID | ||||
| PubChem Substance ID |
8192388, 14754853, 26756534, 43125362, 47957327, 48032592, 50048639, 57317105, 75357719, 85787468, 92308808, 92729791, 103934495, 104343219, 117631071, 124892408, 135028814, 135650580, 135928323, 137147715, 140438701, 142950047, 144205576, 160677128, 162222589, 162634974, 163425775, 170466174, 176484040, 198945608, 224639407, 226635052
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| ChEBI ID |
CHEBI:73378
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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: 206). | |||
| REF 2 | Novel and highly potent 5-HT3 receptor agonists based on a pyrroloquinoxaline structure. J Med Chem. 1997 Oct 24;40(22):3670-8. | |||
| REF 3 | Synthesis of new serotonin 5-HT7 receptor ligands. Determinants of 5-HT7/5-HT1A receptor selectivity. J Med Chem. 2009 Apr 23;52(8):2384-92. | |||
| REF 4 | 2-n-Butyl-9-methyl-8-[1,2,3]triazol-2-yl-9H-purin-6-ylamine and analogues as A2A adenosine receptor antagonists. Design, synthesis, and pharmacolog... J Med Chem. 2005 Nov 3;48(22):6887-96. | |||
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