Drug Information
Drug General Information | Top | |||
---|---|---|---|---|
Drug ID |
D0ST1U
|
|||
Former ID |
DNC007050
|
|||
Drug Name |
Cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-L-Pic-)
|
|||
Synonyms |
CHEMBL373637; cyclo(-D-Tyr-D-Arg-L-Arg-L-Nal-L-Pic-)
Click to Show/Hide
|
|||
Drug Type |
Small molecular drug
|
|||
Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1] | |
Structure |
Download2D MOL |
|||
Formula |
C40H53N11O6
|
|||
Canonical SMILES |
C1CCN2C(C1)C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C2=O)CC3=CC=C(C=C3)O)CCCN=C(N)N)CCCN=C(N)N)CC4=CC5=CC=CC=C5C=C4
|
|||
InChI |
1S/C40H53N11O6/c41-39(42)45-18-5-9-29-34(53)47-30(10-6-19-46-40(43)44)35(54)50-32(22-24-13-16-28(52)17-14-24)38(57)51-20-4-3-11-33(51)37(56)49-31(36(55)48-29)23-25-12-15-26-7-1-2-8-27(26)21-25/h1-2,7-8,12-17,21,29-33,52H,3-6,9-11,18-20,22-23H2,(H,47,53)(H,48,55)(H,49,56)(H,50,54)(H4,41,42,45)(H4,43,44,46)/t29-,30+,31-,32+,33-/m0/s1
|
|||
InChIKey |
OGLLNRFCXLYAMK-AUURQCAXSA-N
|
|||
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. |
If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.