Isonaamidine A; Di-Me ether
AlkaPlorer ID: AK012325
Synonym: Isonaamidine C
IUPAC Name: 5-[1,4-bis[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
Structure
SMILES: COC1=CC=C(CC2=CN(CC3=CC=C(OC)C=C3)C(NC3=NC(=O)N(C)C3=O)=N2)C=C1
InChI: InChI=1S/C23H23N5O4/c1-27-21(29)20(26-23(27)30)25-22-24-17(12-15-4-8-18(31-2)9-5-15)14-28(22)13-16-6-10-19(32-3)11-7-16/h4-11,14H,12-13H2,1-3H3,(H,24,25,26,30)
InChIKey: USFHMQUNULPGAQ-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Notodoris gardineri | Notodoris | Polyceridae | Nudibranchia | Gastropoda | Mollusca | Metazoa | Eukaryota |
| Leucetta sp. | Leucetta | Leucettidae | Clathrinida | Calcarea | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 433.4680000000001
TPSA？: 98.05
MolLogP？: 2.9418000000000006
Number of H-Donors: 1
Number of H-Acceptors: 7
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Epidermal growth factor receptor erbB1 | IC50 | 36900.0 | nM | 10.1021/jm980294n |
| Mus musculus | Insulin receptor | IC50 | 6700.0 | nM | 10.1021/jm980294n |
| None | Unchecked | Selectivity | 0.18 | None | 10.1021/jm980294n |