Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0UI3L
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| Former ID |
DIB019741
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| Drug Name |
dihydroergocryptine
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| Synonyms |
dihydroergokryptine
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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 |
C32H43N5O5
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| Canonical SMILES |
CC(C)CC1C(=O)N2CCCC2C3(N1C(=O)C(O3)(C(C)C)NC(=O)C4CC5C(CC6=CNC7=CC=CC5=C67)N(C4)C)O
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| InChI |
1S/C32H43N5O5/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/h6,8-9,15,17-18,20,22,24-26,33,41H,7,10-14,16H2,1-5H3,(H,34,38)/t20-,22-,24-,25+,26+,31-,32+/m1/s1
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| InChIKey |
PBUNVLRHZGSROC-VTIMJTGVSA-N
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| CAS Number |
CAS 25447-66-9
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| ChEBI ID |
CHEBI:59919
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| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | 5-HT 2B receptor (HTR2B) | Target Info | Agonist | [2] |
| 5-HT 7 receptor (HTR7) | Target Info | Antagonist | [3] | |
| KEGG Pathway | Ras signaling pathway | |||
| Calcium signaling pathway | ||||
| Neuroactive ligand-receptor interaction | ||||
| Serotonergic synapse | ||||
| Gap junction | ||||
| Inflammatory mediator regulation of TRP channels | ||||
| Panther Pathway | Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway | |||
| 5HT2 type receptor mediated signaling pathway | ||||
| Pathwhiz Pathway | Excitatory Neural Signalling Through 5-HTR 7 and Serotonin | |||
| Reactome | Serotonin receptors | |||
| G alpha (s) signalling events | ||||
| G alpha (q) signalling events | ||||
| WikiPathways | Serotonin Receptor 4/6/7 and NR3C Signaling | |||
| Monoamine GPCRs | ||||
| GPCRs, Class A Rhodopsin-like | ||||
| GPCR ligand binding | ||||
| GPCR downstream signaling | ||||
| GPCRs, Other | ||||
| Serotonin Receptor 2 and ELK-SRF/GATA4 signaling | ||||
| Gastrin-CREB signalling pathway via PKC and MAPK | ||||
| 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: 282). | |||
| REF 2 | Structural features for functional selectivity at serotonin receptors. Science. 2013 May 3;340(6132):615-9. | |||
| REF 3 | Molecular cloning of a mammalian serotonin receptor that activates adenylate cyclase. Mol Pharmacol. 1993 Aug;44(2):229-36. | |||
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