9-(Pyrrolidinoacetamido)-1-azabenzanthrone
AlkaPlorer ID: AK003376
Synonym: None
IUPAC Name: N-(8-oxo-16-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaen-5-yl)-2-pyrrolidin-1-ylacetamide
Structure
SMILES: C1CCN(C1)CC(=O)NC2=CC3=C(C=C2)C4=NC=CC5=C4C(=CC=C5)C3=O
InChI: InChI=1S/C22H19N3O2/c26-19(13-25-10-1-2-11-25)24-15-6-7-16-18(12-15)22(27)17-5-3-4-14-8-9-23-21(16)20(14)17/h3-9,12H,1-2,10-11,13H2,(H,24,26)
InChIKey: LGKPZMXPVFODRQ-UHFFFAOYSA-N
Reference
Oxoisoaporphine alkaloid derivatives: Synthesis, DNA binding affinity and cytotoxicity
PubChem CID: 24881993
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 357.4130000000001
TPSA？: 62.300000000000004
MolLogP？: 3.480500000000002
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | DNA | Ki | 17900.0 | nM | 10.1016/j.ejmech.2007.07.004 |
| Electrophorus electricus | Acetylcholinesterase | IC50 | 6.18 | nM | 10.1016/j.bmcl.2007.04.015 |
| Equus caballus | Butyrylcholinesterase | IC50 | 3490.0 | nM | 10.1016/j.bmcl.2007.04.015 |
| Homo sapiens | HepG2 | IC50 | 8140.0 | nM | 10.1016/j.ejmech.2007.07.004 |
| Homo sapiens | MCF7 | IC50 | 11810.0 | nM | 10.1016/j.ejmech.2007.07.004 |
| Homo sapiens | NCI-H460 | IC50 | 2090.0 | nM | 10.1016/j.ejmech.2007.07.004 |
| Homo sapiens | SH-SY5Y | IC50 | 5370.0 | nM | 10.1016/j.ejmech.2011.02.005 |
| None | Unchecked | Inhibition | 45.37 | % | 10.1016/j.ejmech.2011.02.005 |
| None | Unchecked | Ratio IC50 | 560.0 | None | 10.1016/j.bmcl.2007.04.015 |