Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D06PXY
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| Former ID |
DIB018815
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| Drug Name |
alpha-ergocryptine
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| Synonyms |
Ergocryptine; alpha-Ergocryptine; Ergocryptine-alpha; 511-09-1; UNII-6WFB60157B; alpha-Ergokryptine; NSC 169479; CHEMBL1403281; CHEBI:10276; YDOTUXAWKBPQJW-NSLWYYNWSA-N; 12'-Hydroxy-5'alpha-isobutyl-2'-isopropylergotaman-3',6',18-trione; 6WFB60157B; EINECS 208-121-2; 12'-hydroxy-2'-(1-methylethyl)-5'alpha-(2-methylpropyl)ergotaman-3',6',18-trione; 12'-hydroxy-5'alpha-(2-methylpropyl)-3',6',18-trioxo-2'-(propan-2-yl)ergotaman; BRN 0078810; 12'-Hydroxy-2'-(1-methylethyl)-5'-alpha-(2-methylpropyl)ergotaman-3',6',18-trione
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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 |
C32H41N5O5
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| Canonical SMILES |
CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CN(C5CC6=CNC7=CC=CC(=C67)C5=C4)C)O
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| InChI |
1S/C32H41N5O5/c1-17(2)12-25-29(39)36-11-7-10-26(36)32(41)37(25)30(40)31(42-32,18(3)4)34-28(38)20-13-22-21-8-6-9-23-27(21)19(15-33-23)14-24(22)35(5)16-20/h6,8-9,13,15,17-18,20,24-26,33,41H,7,10-12,14,16H2,1-5H3,(H,34,38)/t20-,24-,25+,26+,31-,32+/m1/s1
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| InChIKey |
YDOTUXAWKBPQJW-NSLWYYNWSA-N
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| CAS Number |
CAS 511-09-1
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| PubChem Compound ID | ||||
| PubChem Substance ID |
9748, 10321972, 10645176, 11466755, 11467875, 11486329, 15232779, 24894618, 29312230, 47350623, 47647744, 47721858, 48020241, 48244658, 48395147, 48484180, 49698625, 56463649, 57344920, 78965346, 85788371, 92125620, 99319091, 103914441, 104382386, 121363291, 122859598, 124559164, 124800038, 129780413, 135652665, 135727635, 137041941, 139699234, 141839363, 160698676, 160870076, 162221606, 179214378, 198986633, 224852914, 226458154, 241178188, 241201541, 250134878, 252345021, 252448634
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| ChEBI ID |
CHEBI:10276
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | 5-HT 6 receptor (HTR6) | Target Info | Antagonist | [2] |
| KEGG Pathway | Calcium signaling pathway | |||
| cAMP signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| Serotonergic synapse | ||||
| Panther Pathway | Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | |||
| Pathwhiz Pathway | Excitatory Neural Signalling Through 5-HTR 6 and Serotonin | |||
| Reactome | Serotonin receptors | |||
| G alpha (s) signalling events | ||||
| WikiPathways | Serotonin Receptor 4/6/7 and NR3C Signaling | |||
| Monoamine GPCRs | ||||
| GPCRs, Class A Rhodopsin-like | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| 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: 271). | |||
| REF 2 | Identification of residues in transmembrane regions III and VI that contribute to the ligand binding site of the serotonin 5-HT6 receptor. J Neurochem. 1998 Nov;71(5):2169-77. | |||
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