Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0K9KQ
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| Former ID |
DNC007057
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| Drug Name |
Cyclo(-D-Ala-D-Arg-L-Arg-L-Nal-Gly-)
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| Synonyms |
CHEMBL373440; cyclo(-D-Ala-D-Arg-L-Arg-L-Nal-Gly-)
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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 |
C30H43N11O5
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| Canonical SMILES |
CC1C(=O)NCC(=O)NC(C(=O)NC(C(=O)NC(C(=O)N1)CCCN=C(N)N)CCCN=C(N)N)CC2=CC3=CC=CC=C3C=C2
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| InChI |
1S/C30H43N11O5/c1-17-25(43)37-16-24(42)39-23(15-18-10-11-19-6-2-3-7-20(19)14-18)28(46)41-22(9-5-13-36-30(33)34)27(45)40-21(26(44)38-17)8-4-12-35-29(31)32/h2-3,6-7,10-11,14,17,21-23H,4-5,8-9,12-13,15-16H2,1H3,(H,37,43)(H,38,44)(H,39,42)(H,40,45)(H,41,46)(H4,31,32,35)(H4,33,34,36)/t17-,21-,22+,23+/m1/s1
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| InChIKey |
SSVKJORMBVSSPN-DZWOVHDNSA-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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