Drug Information
Drug General Information | Top | |||
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Drug ID |
D05VQJ
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Former ID |
DIB020088
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Drug Name |
isothiourea-1t
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Synonyms |
IT1t
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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 |
C21H34N4S2
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Canonical SMILES |
CC1(CN2C(=CSC2=N1)CSC(=NC3CCCCC3)NC4CCCCC4)C
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InChI |
1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23)
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InChIKey |
OOSUDWRRWZVFEB-UHFFFAOYSA-N
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PubChem Compound ID | ||||
PubChem Substance ID |
Target and Pathway | Top | |||
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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 | |||
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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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