Drug General Information
Drug ID
DXG4EI
Drug Name
7-[3-(4-Benzhydryl-piperidin-1-yl)-propyl]-1,3-dimethyl-3,7-dihydro-purine-2,6-dione; compound with (E)-but-2-enedioic acid
Synonyms
CHEMBL338611
Indication Discovery agent Investigative [1587926]
Formula
C28H33N5O2.C4H4O4
Canonical SMILES
CN1C(=O)N(C)c2ncn(CCCN3CCC(CC3)C(c4ccccc4)c5ccccc5)c2C1=O.OC(=O)\\C=C\\C(=O)O
InChI
InChI=1S/C28H33N5O2.C4H4O4/c1-30-26-25(27(34)31(2)28(30)35)33(20-29-26)17-9-16-32-18-14-23(15-19-32)24(21-10-5-3-6-11-21)22-12-7-4-8-13-22;5-3(6)1-2-4(7)8/h3-8,10-13,20,23-24H,9,14-19H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChIKey
WKFCYPFWSNYPKN-WLHGVMLRSA-N
Target and Pathway
Target(s) Alpha-1 adrenergic receptor Target Info [1587926]
Histamine H1 receptor Target Info [1587926]
KEGG Pathway Calcium signaling pathway
Neuroactive ligand-receptor interaction
Inflammatory mediator regulation of TRP channels
PANTHER Pathway Histamine H1 receptor mediated signaling pathway
Reactome Histamine receptors
G alpha (q) signalling events
WikiPathways Monoamine GPCRs
GPCRs, Class A Rhodopsin-like
IL-4 Signaling Pathway
Gastrin-CREB signalling pathway via PKC and MAPK
GPCR ligand binding
GPCR downstream signaling
References
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017
Ref 1587926URL: https://www.ebi.ac.uk/chembl/ The ChEMBL database in 2017

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