Drug Information

Drug General Information
Drug ID
D06MBD
Former ID
DIB020087
Drug Name
isothiourea-1a
Synonyms
IT1a
Drug Type
Small molecular drug
Indication Discovery agent Investigative [529840]
Formula
C19H30N4S2
InChI
InChI=1S/C19H30N4S2/c1-3-7-15(8-4-1)21-18(22-16-9-5-2-6-10-16)24-13-17-14-25-19-20-11-12-23(17)19/h14-16H,1-13H2,(H,21,22)
InChIKey
ZEZPDHKACVMMCD-UHFFFAOYSA-N
PubChem Compound ID
11176403
PubChem Substance ID
16256634, 22421802, 42256116, 76799749, 84987122, 103590363, 104102162, 135650432, 224108359, 229535907, 244536867
Target and Pathway
Target(s) C-X-C chemokine receptor 4 Target Info Antagonist [529840]
KEGG Pathway Cytokine-cytokine receptor interaction
Chemokine signaling pathway
Endocytosis
Axon guidance
Leukocyte transendothelial migration
Intestinal immune network for IgA production
Pathways in cancer
NetPath Pathway IL2 Signaling Pathway
IL4 Signaling Pathway
Leptin Signaling Pathway
PANTHER Pathway Axon guidance mediated by Slit/Robo
Inflammation mediated by chemokine and cytokine signaling pathway
Pathway Interaction Database S1P3 pathway
CXCR4-mediated signaling events
Syndecan-4-mediated signaling events
HIF-1-alpha transcription factor network
Ephrin B reverse signaling
Reactome Binding and entry of HIV virion
Chemokine receptors bind chemokines
G alpha (i) signalling events
WikiPathways GPCRs, Class A Rhodopsin-like
Hematopoietic Stem Cell Differentiation
HIV Life Cycle
Cardiac Progenitor Differentiation
Peptide GPCRs
GPCR ligand binding
GPCR downstream signaling
References
Ref 529840Orally bioavailable isothioureas block function of the chemokine receptor CXCR4 in vitro and in vivo. J Med Chem. 2008 Dec 25;51(24):7915-20.
Ref 529840Orally bioavailable isothioureas block function of the chemokine receptor CXCR4 in vitro and in vivo. J Med Chem. 2008 Dec 25;51(24):7915-20.

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