Drug General Information
Drug ID
DX2QIE
Drug Name
(S)-2-({5-[3-(2,4-Diamino-6-oxo-1,6-dihydro-pyrimidin-5-ylsulfanyl)-propyl]-4-methyl-thiophene-2-carbonyl}-amino)-pentanedioic acid
Synonyms
CHEMBL315627
Indication Discovery agent Investigative [1587926]
Formula
C18H23N5O6S2
Canonical SMILES
Cc1cc(sc1CCCSc2c(N)nc(N)nc2O)C(=O)N[C@@H](CCC(=O)O)C(=O)O
InChI
InChI=1S/C18H23N5O6S2/c1-8-7-11(15(26)21-9(17(28)29)4-5-12(24)25)31-10(8)3-2-6-30-13-14(19)22-18(20)23-16(13)27/h7,9H,2-6H2,1H3,(H,21,26)(H,24,25)(H,28,29)(H5,19,20,22,23,27)/t9-/m0/s1
InChIKey
RPXDQPDLDPKBHG-VIFPVBQESA-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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