General Property |
Molceule ID (DB) | EGIN0003917 |
Inhibitor Class | Phthalimide |
Molecule Name in Refrence Article | 5l compound |
IUPAC Name | 13-(dimethylamino)-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 | C28H26N4O9 |
Mass | 562.5274 |
Exact Mass | 562.1699785 |
Composition | C (59.78%), H (4.66%), N (9.96%), O (25.6%) |
Atom Count | 67 |
PI | 4.7 |
Smiles | n1([C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)c2c3c(c4c(=O)n(c(=O)c4c2c2c1c(O)ccc2)N(C)C)c1c([nH]3)c(O)ccc1 |
InChI | 1S/C28H26N4O9/c1-30(2)32-26(39)17-15-10-5-3-7-12(34)19(10)29-20(15)22-16(18(17)27(32)40)11-6-4-8-13(
35)21(11)31(22)28-25(38)24(37)23(36)14(9-33)41-28/h3-8,14,23-25,28-29,33-38H,9H2,1-2H3/t14-,23-,24+,
25-,28-/m1/s1 |
InChIKey | TUGJIFXSWJQRKH-IGWUZQIMSA-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 |
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Drug Bank Link | - |
ChemSpider Link | 23118666 |
ChEMBL Link | CHEMBL278071 |