5-(4-Hydroxybenzylidene)-2,4-imidazolinedione; (Z)-form
AlkaPlorer ID: AK300938
Synonym: None
IUPAC Name: (5Z)-5-[(4-hydroxyphenyl)methylidene]imidazolidine-2,4-dione
Structure
SMILES: O=C1NC(=O)/C(=C/C2=CC=C(O)C=C2)N1
InChI: InChI=1S/C10H8N2O3/c13-7-3-1-6(2-4-7)5-8-9(14)12-10(15)11-8/h1-5,13H,(H2,11,12,14,15)/b8-5-
InChIKey: UPDDIBZITPTASO-YVMONPNESA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hemimycale arabica | Hemimycale | Hymedesmiidae | Poecilosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 204.185
TPSA？: 78.43
MolLogP？: 0.5725
Number of H-Donors: 3
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Thrombin | Inhibition | 14.0 | % | 10.1021/jm201243p |
| Homo sapiens | Glycogen synthase kinase-3 beta | IC50 | 13700.0 | nM | 10.1016/j.bmc.2009.06.054 |
| Homo sapiens | MDA-MB-231 | Activity | nan | None | 10.1016/j.bmc.2011.06.060 |
| Homo sapiens | PC-3 | Activity | nan | None | 10.1007/s00044-013-0495-6 |
| Homo sapiens | PC-3 | Activity | nan | None | 10.1016/j.bmc.2011.06.060 |
| Homo sapiens | PC-3 | Activity | nan | None | 10.1021/np900787p |
| Homo sapiens | PC-3 | IC50 | 127900.0 | nM | 10.1016/j.ejmech.2010.08.066 |
| Homo sapiens | PC-3 | IC50 | 7834296.43 | nM | 10.1016/j.ejmech.2010.08.066 |
| Homo sapiens | PC-3 | Inhibition | 34.0 | % | 10.1016/j.ejmech.2010.08.066 |
| Mus musculus | Mus musculus | EDMES(2.5) | 200.0 | mg kg-1 | 10.1021/jm030450c |
| Mus musculus | Mus musculus | Log 1/EDMES(2.5) | -2.3 | None | 10.1021/jm030450c |
| Mus musculus | RAW264.7 | Inhibition | 13.0 | % | 10.1021/jm901183d |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1016/j.bmc.2008.12.053 |
| None | NON-PROTEIN TARGET | EC50 | 150000.0 | nM | 10.1016/j.bmc.2008.12.053 |
| None | Unchecked | Inhibition | 26.0 | % | 10.1021/jm201243p |
| None | Unchecked | Inhibition | nan | % | 10.1021/jm201243p |