Naamidine A; Zn complex
AlkaPlorer ID: AK020533
Synonym: Bis(naamidinato A)zinc(II)
IUPAC Name: 5-[5-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]-1-methylimidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
Structure
SMILES: COC1=CC=C(CC2=C(CC3=CC=C(O)C=C3)N(C)C(N=C3N=C(O)N(C)C3=O)=N2)C=C1
InChI: InChI=1S/C23H23N5O4/c1-27-19(13-15-4-8-16(29)9-5-15)18(12-14-6-10-17(32-3)11-7-14)24-22(27)25-20-21(30)28(2)23(31)26-20/h4-11,29H,12-13H2,1-3H3,(H,24,25,26,31)
InChIKey: REQFUGYVPAQCTH-UHFFFAOYSA-N
Reference
PubChem CID: 135455949
CAS: 110189-06-5
LOTUS: LTS0037952
NPASS: NPC280638
COCONUT: CNP0332189
Source
Properties Information
Molecule Weight: 433.4680000000002
TPSA？: 112.54
MolLogP？: 2.7319000000000004
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A-431 | Inhibition | 35.0 | % | 10.1021/jm980294n |
| Homo sapiens | A-431 | Inhibition | 52.0 | % | 10.1021/jm980294n |
| Homo sapiens | A-431 | Inhibition | 87.4 | % | 10.1021/jm980294n |
| Homo sapiens | A-431 | Inhibition | 96.4 | % | 10.1021/jm980294n |
| Mus musculus | Epidermal growth factor receptor erbB1 | IC50 | 11300.0 | nM | 10.1021/jm980294n |
| Mus musculus | Insulin receptor | IC50 | 242000.0 | nM | 10.1021/jm980294n |
| None | Unchecked | IC50 | 3000.0 | nM | 10.1016/j.bmcl.2007.04.017 |
| None | Unchecked | Selectivity | 21.0 | None | 10.1021/jm980294n |