Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D0GG9P
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| Drug Name |
Balixafortide
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| Synonyms |
1051366-32-5; Balixafortide [INN]; UNII-PRC974M49B; PRC974M49B; Ala-cys-ser-ala-pro-arg-tyr-cys-tyr-gln-lys-pro-pro-tyr-his cyclic (2->9)-disulfide; Cyclo(L-alanyl-L-cysteinyl-L-seryl-L-alanyl-D-prolyl-(2S)-2,4-diaminobutanoyl-L-arginyl-L-tyrosyl-L-cysteinyl-L-tyrosyl-L-glutaminyl-L-lysyl-D-prolyl-L-prolyl-L-tyrosyl-L-histidyl), cyclic (2->9)-disulfide
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| Drug Type |
Peptide
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| Indication | Metastatic breast cancer [ICD-11: 2C6Y] | Phase 3 | [1] | |
| Company |
Polyphor
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| Structure |
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Download2D MOL |
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| Formula |
C80H112N22O21S2
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| Canonical SMILES |
CC1C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(CSSCC(C(=O)NC(C(=O)N1)CO)NC(=O)C(C)N)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(CCC(=O)N)C(=O)NC(CCCCN)C(=O)N4CCCC4C(=O)N5CCCC5C(=O)NC(CC6=CC=C(C=C6)O)C(=O)NC(CC7=CNC=N7)C(=O)O)CC8=CC=C(C=C8)O)CCCNC(=N)N
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| InChI |
1S/C80H112N22O21S2/c1-42(82)65(108)98-59-39-124-125-40-60(99-70(113)55(34-45-16-22-49(105)23-17-45)93-66(109)51(10-5-29-87-80(84)85)91-74(117)61-11-6-30-100(61)76(119)43(2)89-71(114)58(38-103)97-73(59)116)72(115)94-54(33-44-14-20-48(104)21-15-44)68(111)90-52(26-27-64(83)107)67(110)92-53(9-3-4-28-81)77(120)102-32-8-13-63(102)78(121)101-31-7-12-62(101)75(118)95-56(35-46-18-24-50(106)25-19-46)69(112)96-57(79(122)123)36-47-37-86-41-88-47/h14-25,37,41-43,51-63,103-106H,3-13,26-36,38-40,81-82H2,1-2H3,(H2,83,107)(H,86,88)(H,89,114)(H,90,111)(H,91,117)(H,92,110)(H,93,109)(H,94,115)(H,95,118)(H,96,112)(H,97,116)(H,98,108)(H,99,113)(H,122,123)(H4,84,85,87)/t42-,43-,51-,52-,53-,54-,55-,56-,57-,58-,59-,60-,61-,62-,63-/m0/s1
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| InChIKey |
UUTLJGUXRVWOSI-YYXAXUJHSA-N
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | C-X-C chemokine receptor type 4 (CXCR4) | Target Info | Antagonist | [2] |
| 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 | ClinicalTrials.gov (NCT03786094) Pivotal Study in HER2 Negative, Locally Recurrent or Metastatic Breast Cancer (FORTRESS). U.S. National Institutes of Health. | |||
| REF 2 | Anti-ageing pipeline starts to mature.Nat Rev Drug Discov. 2018 Sep;17(9):609-612. | |||
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