General Property |
Molceule ID (DB) | EGIN0003923 |
Inhibitor Class | Phthalimide |
Molecule Name in Refrence Article | 5r compound |
IUPAC Name | 5,21-dihydroxy-13-[(2-hydroxyethyl)amino]-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 | C28H26N4O10 |
Mass | 578.5268 |
Exact Mass | 578.1648931 |
Composition | C (58.13%), H (4.53%), N (9.68%), O (27.66%) |
Atom Count | 68 |
PI | 5.95 |
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)NCCO)c1c([nH]3)c(O)ccc1 |
InChI | 1S/C28H26N4O10/c33-8-7-29-32-26(40)17-15-10-3-1-5-12(35)19(10)30-20(15)22-16(18(17)27(32)41)11-4-2-6
-13(36)21(11)31(22)28-25(39)24(38)23(37)14(9-34)42-28/h1-6,14,23-25,28-30,33-39H,7-9H2/t14-,23-,24+,
25-,28-/m1/s1 |
InChIKey | ABMZJWIUBWZAMZ-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 | - |
ChEMBL Link | CHEMBL20811 |