General Property |
Molceule ID (DB) | EGIN0004177 |
Inhibitor Class | Isoindole-dione |
Molecule Name in Refrence Article | 23c compound |
IUPAC Name | 6,20-dihydroxy-13-({[3-(hydroxymethyl)pyridin-4-yl]methyl}amino)-3-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-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 | C33H29N5O11 |
Mass | 671.6103 |
Exact Mass | 671.1863568 |
Composition | C (59.02%), H (4.35%), N (10.43%), O (26.2%) |
Atom Count | 78 |
PI | 5.95 |
Smiles | n1(c(=O)c2c(c1=O)c1c3c([nH]c1c1c2c2ccc(cc2n1O[C@@H]1O[C@@H]([C@H]([C@@H]([C@H]1O)O)O)CO)O)cc(cc3)O)NCc1ccncc1CO |
InChI | 1S/C33H29N5O11/c39-11-14-9-34-6-5-13(14)10-35-37-31(46)24-22-17-3-1-15(41)7-19(17)36-26(22)27-23(25(
24)32(37)47)18-4-2-16(42)8-20(18)38(27)49-33-30(45)29(44)28(43)21(12-40)48-33/h1-9,21,28-30,33,35-36
,39-45H,10-12H2/t21-,28-,29+,30-,33+/m1/s1 |
InChIKey | WBTSSKZUOZKBDD-OJSVXGLKSA-N |
2D Structure | ![](./image/EGIN0004177.png) | Structure Backbone | ![](./frame/f_EGIN0004177.png) |
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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 | 19397324 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | PKC | Topo I | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 23338155 |
ChEMBL Link | CHEMBL509544 |