General Property |
Molceule ID (DB) | EGIN0003903 |
Inhibitor Class | Phthalimide |
Molecule Name in Refrence Article | 2 (ED-110) |
IUPAC Name | 5,21-dihydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,13,23-triazahexacyclo[14.7.0.0^{2,10}.0^{4,9}.0^{11,15}.0^{17,22}]tricosa-1(16),2(10),4(9),5,7,11(15),17(22),18,20-nonaene-12,14-dione |
Formula | C26H21N3O9 |
Mass | 519.4596 |
Exact Mass | 519.1277793 |
Composition | C (60.12%), H (4.07%), N (8.09%), O (27.72%) |
Atom Count | 59 |
PI | 2.61 |
Smiles | n1([C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c2c3c(c4c(c2c2c1c(O)ccc2)c(=O)[nH]c4=O)c1c([nH]3)c(O)ccc1 |
InChI | 1S/C26H21N3O9/c30-7-12-21(33)22(34)23(35)26(38-12)29-19-9(4-2-6-11(19)32)14-16-15(24(36)28-25(16)37)
13-8-3-1-5-10(31)17(8)27-18(13)20(14)29/h1-6,12,21-23,26-27,30-35H,7H2,(H,28,36,37)/t12-,21-,22+,23-
,26-/m1/s1 |
InChIKey | BSQFHYQBCYIAKE-RJZBGXQMSA-N |
2D Structure | | Structure Backbone | |
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View Structure in Jmol | Click to view 3 d structure Download Mol File |
Drug Like Property | Druglikeliness |
Symmetry & Geometry | Symmetry And Geometrical Information |
Activity & Binding | Activity against isoform and covalant binding information |
Topological Properties | Descriptors |
Reference | 10340602 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | PKC | |
Pub Chem Link |
9827992
|
Drug Bank Link | - |
ChemSpider Link | 8003733 |
ChEMBL Link | CHEMBL21108 |