Isonaamidine A; O11-Me
AlkaPlorer ID: AK033041
Synonym: Isonaamidine B
IUPAC Name: 5-[1-[(4-hydroxyphenyl)methyl]-4-[(4-methoxyphenyl)methyl]imidazol-2-yl]imino-3-methylimidazolidine-2,4-dione
Structure
SMILES: COC1=CC=C(CC2=CN(CC3=CC=C(O)C=C3)C(N=C3N=C(O)N(C)C3=O)=N2)C=C1
InChI: InChI=1S/C22H21N5O4/c1-26-20(29)19(25-22(26)30)24-21-23-16(11-14-5-9-18(31-2)10-6-14)13-27(21)12-15-3-7-17(28)8-4-15/h3-10,13,28H,11-12H2,1-2H3,(H,23,24,25,30)
InChIKey: ZKILOUUCRGDELO-UHFFFAOYSA-N
Reference
PubChem CID: 135508883
CAS: 121819-70-3
LOTUS: LTS0002438
NPASS: NPC242923
COCONUT: CNP0332658
Source
Properties Information
Molecule Weight: 419.44100000000014
TPSA？: 112.54
MolLogP？: 2.6524
Number of H-Donors: 2
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mus musculus | Epidermal growth factor receptor erbB1 | IC50 | 22700.0 | nM | 10.1021/jm980294n |
| Mus musculus | Insulin receptor | IC50 | 9800.0 | nM | 10.1021/jm980294n |
| None | Unchecked | Selectivity | 0.43 | None | 10.1021/jm980294n |