5-hydroxy-3-[(1H-indol-3-yl)methyl]-1,6-dimethyl-1,2,3,6-tetrahydropyrazin-2-one
AlkaPlorer ID: AK024101
Synonym: None
IUPAC Name: (3S,6S)-3-(1H-indol-3-ylmethyl)-1,6-dimethylpiperazine-2,5-dione
Structure
SMILES: C[C@H]1C(O)=N[C@@H](CC2=CNC3=CC=CC=C23)C(=O)N1C
InChI: InChI=1S/C15H17N3O2/c1-9-14(19)17-13(15(20)18(9)2)7-10-8-16-12-6-4-3-5-11(10)12/h3-6,8-9,13,16H,7H2,1-2H3,(H,17,19)/t9-,13-/m0/s1
InChIKey: SSFZVWKVKADKHZ-ZANVPECISA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Acrostalagmus | Plectosphaerellaceae | Glomerellales | Sordariomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 271.32
TPSA？: 68.69
MolLogP？: 1.896
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2012.08.115 |
| Homo sapiens | MCF7 | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2012.08.115 |
| Homo sapiens | NCI-H460 | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2012.08.115 |
| Homo sapiens | SF-268 | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2012.08.115 |