Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0K0SO
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| Former ID |
DNC007051
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| Drug Name |
Cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-D-Ala-)
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| Synonyms |
CHEMBL373636; cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-D-Ala-)
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
| Structure |
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Download2D MOL |
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| Formula |
C37H49N11O6
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| Canonical SMILES |
CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CC2=CC=C(C=C2)O)CCCN=C(N)N)CCCN=C(N)N)CC3=CC4=CC=CC=C4C=C3
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| InChI |
1S/C37H49N11O6/c1-21-31(50)47-30(20-23-10-13-24-6-2-3-7-25(24)18-23)35(54)46-27(8-4-16-42-36(38)39)32(51)45-28(9-5-17-43-37(40)41)33(52)48-29(34(53)44-21)19-22-11-14-26(49)15-12-22/h2-3,6-7,10-15,18,21,27-30,49H,4-5,8-9,16-17,19-20H2,1H3,(H,44,53)(H,45,51)(H,46,54)(H,47,50)(H,48,52)(H4,38,39,42)(H4,40,41,43)/t21-,27+,28-,29-,30+/m1/s1
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| InChIKey |
VWZBFEAQYFTPKH-UIMYGGOYSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | C-X-C chemokine receptor type 4 (CXCR4) | Target Info | Inhibitor | [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 | Structure-activity relationships of cyclic peptide-based chemokine receptor CXCR4 antagonists: disclosing the importance of side-chain and backbone... J Med Chem. 2007 Jan 25;50(2):192-8. | |||
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