5-[(1H-Indol-3-yl)methyl]-2,4-imidazolidinedione; (S)-form
AlkaPlorer ID: AK302553
Synonym: None
IUPAC Name: 5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
Structure
SMILES: O=C1NC(=O)C(CC2=CNC3=CC=CC=C23)N1
InChI: InChI=1S/C12H11N3O2/c16-11-10(14-12(17)15-11)5-7-6-13-9-4-2-1-3-8(7)9/h1-4,6,10,13H,5H2,(H2,14,15,16,17)
InChIKey: RUUREKIGAKIKIL-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Aspergillus sp. SCSGAF 0076 | Aspergillus | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 229.239
TPSA？: 73.99
MolLogP？: 0.9184
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli K-12 | Beta-lactamase AmpC | Potency | 112201.8 | nM | None |
| Homo sapiens | DNA polymerase iota | Potency | 89125.1 | nM | None |
| Homo sapiens | Jurkat | EC50 | 10000.0 | nM | 10.1016/j.bmcl.2005.07.077 |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 35481.3 | nM | None |
| Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 | Potency | 50118.7 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 8275.3 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 9285.0 | nM | None |
| None | Unchecked | Potency | 89.1 | nM | None |
| None | Unchecked | Potency | 28183.8 | nM | None |