12-amino-11-methoxy-16-azatetracyclo[7.7.1.0²,?.0¹³,¹?]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
AlkaPlorer ID: AK058445
Synonym: None
IUPAC Name: 12-amino-11-methoxy-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9,11,13(17),14-octaen-8-one
Structure
SMILES: COC1=CC2=C3C(=NC=CC3=C1N)C1=CC=CC=C1C2=O
InChI: InChI=1S/C17H12N2O2/c1-21-13-8-12-14-11(15(13)18)6-7-19-16(14)9-4-2-3-5-10(9)17(12)20/h2-8H,18H2,1H3
InChIKey: DVXISAIJCXZAQX-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sciadotenia toxifera | Sciadotenia | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 276.295
TPSA？: 65.21000000000001
MolLogP？: 3.037
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | AGS | IC50 | 2090.0 | nM | 10.1021/np100370g |
| Homo sapiens | AGS | IC50 | 100000.0 | nM | 10.1016/j.ejmech.2013.01.049 |
| Homo sapiens | J82 | IC50 | 2090.0 | nM | 10.1021/np100370g |
| Homo sapiens | J82 | IC50 | 100000.0 | nM | 10.1016/j.ejmech.2013.01.049 |
| Homo sapiens | MRC5 | IC50 | 37000.0 | nM | 10.1016/j.bmcl.2012.10.092 |
| Homo sapiens | MRC5 | IC50 | 37000.0 | nM | 10.1016/j.ejmech.2013.01.049 |
| Homo sapiens | SK-MES-1 | IC50 | 2090.0 | nM | 10.1021/np100370g |
| Homo sapiens | SK-MES-1 | IC50 | 100000.0 | nM | 10.1016/j.ejmech.2013.01.049 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 100000.0 | nM | 10.1016/j.bmcl.2012.10.092 |
| None | NON-PROTEIN TARGET | IC50 | 2090.0 | nM | 10.1021/np100370g |
| None | Unchecked | Ratio IC50 | 0.37 | None | 10.1016/j.bmcl.2012.10.092 |