487-21-8
AlkaPlorer ID: AK055870
Synonym: None
IUPAC Name: 1H-pteridine-2,4-dione
Structure
SMILES: O=C1NC(=O)C2=NC=CN=C2N1
InChI: InChI=1S/C6H4N4O2/c11-5-3-4(8-2-1-7-3)9-6(12)10-5/h1-2H,(H2,8,9,10,11,12)
InChIKey: UYEUUXMDVNYCAM-UHFFFAOYSA-N
Reference
Photoaktive Stoffe aus Männchen von Formica polyctena Foerst. (Ins. Hym. Form.)
PubChem CID: 10250
CAS: 27899-40-7
LOTUS: LTS0182033
COCONUT: CNP0243660
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Formica polyctena | Formica | Formicidae | Hymenoptera | Insecta | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 164.124
TPSA？: 91.5
MolLogP？: -0.9936000000000004
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | PI3-kinase p110-alpha/p85-alpha | Inhibition | 25.0 | % | 10.1016/j.bmc.2017.01.012 |
| Homo sapiens | PI3-kinase p110-alpha subunit | Inhibition | 25.0 | % | 10.1016/j.bmc.2017.01.012 |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1039/C3MD00149K |
| None | NON-PROTEIN TARGET | EC50 | 300000.0 | nM | 10.1039/C3MD00149K |
| None | No relevant target | EC50 | 713000.0 | nM | 10.1039/C3MD00149K |