Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D06MBD
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| Former ID |
DIB020087
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| Drug Name |
isothiourea-1a
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| Synonyms |
IT1a
Click to Show/Hide
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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 |
C19H30N4S2
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| Canonical SMILES |
C1CCC(CC1)NC(=NC2CCCCC2)SCC3=CSC4=NCCN34
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| 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)
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| InChIKey |
ZEZPDHKACVMMCD-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | C-X-C chemokine receptor type 4 (CXCR4) | Target Info | Antagonist | [1] |
| 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 | Top | |||
|---|---|---|---|---|
| REF 1 | Orally 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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