General Property |
Molceule ID (DB) | EGIN0003007 |
Inhibitor Class | Indole |
Molecule Name in Refrence Article | 23 compound |
IUPAC Name | 4-(2-{[(2R)-2-amino-9-[5-(pyridin-2-yl)pentyl]-2,3,4,9-tetrahydro-1H-carbazol-6-yl]oxy}ethyl)phenol |
Formula | C30H35N3O2 |
Mass | 469.6178 |
Exact Mass | 469.2729274 |
Composition | C (76.73%), H (7.51%), N (8.95%), O (6.81%) |
Atom Count | 70 |
PI | 10.04 |
Smiles | c1c(ccc2c1c1c(n2CCCCCc2ncccc2)C[C@@H](CC1)N)OCCc1ccc(cc1)O |
InChI | 1S/C30H35N3O2/c31-23-10-14-27-28-21-26(35-19-16-22-8-11-25(34)12-9-22)13-15-29(28)33(30(27)20-23)18-
5-1-2-6-24-7-3-4-17-32-24/h3-4,7-9,11-13,15,17,21,23,34H,1-2,5-6,10,14,16,18-20,31H2/t23-/m1/s1 |
InChIKey | BKXVGUUZDBDGAY-HSZRJFAPSA-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 | 20456957 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | VEGFR2 | VEGFR3 | IGF1R | ALL |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | - |
ChEMBL Link | CHEMBL1199062 |