Drug Information
| Drug General Information | Top | |||
|---|---|---|---|---|
| Drug ID |
D04KNL
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| Former ID |
DIB016834
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| Drug Name |
PG-545
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| Synonyms |
PG-457; PG-500; PG-501; PG-502; PG-503; PG-504; PG-505; PG-506; PG-507; PG-508; PG-509; PG-510; PG-511; PG-512; PG-513; PG-514;PG-536; PG-546; PG-547; PG-554; PG-562; PG-500 series (heparan sulfate mimetics), Progen
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| Drug Type |
?
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| Indication | Ocular disease [ICD-11: 1F00.1Z] | Phase 1 | [1] | |
| Company |
Progen Pharmaceuticals Ltd
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| Structure |
 |
Download2D MOL
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| Formula |
C51H75Na13O60S13
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| Canonical SMILES |
CC(C)CCCC(C)C1CCC2C1(CCC3C2CCC4C3(CCC(C4)OC5C(C(C(C(O5)COS(=O)(=O)[O-])OC6C(C(C(C(O6)COS(=O)(=O)[O-])OC7C(C(C(C(O7)COS(=O)(=O)[O-])OC8C(C(C(C(O8)COS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])OS(=O)(=O)[O-])C)C.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+].[Na+]
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| InChI |
1S/C51H88O60S13.13Na/c1-22(2)7-6-8-23(3)27-11-12-28-26-10-9-24-17-25(13-15-50(24,4)29(26)14-16-51(27,28)5)95-46-42(108-121(79,80)81)38(104-117(67,68)69)34(30(96-46)18-91-112(52,53)54)100-47-43(109-122(82,83)84)39(105-118(70,71)72)35(31(97-47)19-92-113(55,56)57)101-48-44(110-123(85,86)87)40(106-119(73,74)75)36(32(98-48)20-93-114(58,59)60)102-49-45(111-124(88,89)90)41(107-120(76,77)78)37(103-116(64,65)66)33(99-49)21-94-115(61,62)63;;;;;;;;;;;;;/h22-49H,6-21H2,1-5H3,(H,52,53,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78)(H,79,80,81)(H,82,83,84)(H,85,86,87)(H,88,89,90);;;;;;;;;;;;;/q;13*+1/p-13/t23-,24+,25+,26+,27-,28+,29+,30-,31-,32-,33-,34-,35-,36-,37-,38+,39+,40+,41+,42-,43-,44-,45-,46-,47-,48-,49-,50+,51-;;;;;;;;;;;;;/m1............./s1
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| InChIKey |
PHIUHBOJEMIHQZ-YAPWIAIGSA-A
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| CAS Number |
CAS 1144492-69-2
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| PubChem Compound ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Heparanase (HPSE) | Target Info | Modulator | [1] |
| KEGG Pathway | Glycosaminoglycan degradation | |||
| Metabolic pathways | ||||
| Proteoglycans in cancer | ||||
| Pathway Interaction Database | Syndecan-1-mediated signaling events | |||
| Reactome | HS-GAG degradation | |||
| WikiPathways | Glycosaminoglycan metabolism | |||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | PG545, a dual heparanase and angiogenesis inhibitor, induces potent anti-tumour and anti-metastatic efficacy in preclinical models. Br J Cancer. 2011 Feb 15;104(4):635-42. | |||
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