9-[(Dimethylamino)acetamido]-1-azabenzanthrone
AlkaPlorer ID: AK000807
Synonym: None
IUPAC Name: 2-(dimethylamino)-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)acetamide
Structure
SMILES: CN(C)CC(=O)NC1=CC2=C(C=C1)C3=NC=CC4=C3C(=CC=C4)C2=O
InChI: InChI=1S/C20H17N3O2/c1-23(2)11-17(24)22-13-6-7-14-16(10-13)20(25)15-5-3-4-12-8-9-21-19(14)18(12)15/h3-10H,11H2,1-2H3,(H,22,24)
InChIKey: UUUXBJMYSZSGQD-UHFFFAOYSA-N
Reference
Oxoisoaporphine alkaloid derivatives: Synthesis, DNA binding affinity and cytotoxicity
PubChem CID: 24881994
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 331.37500000000006
TPSA？: 62.300000000000004
MolLogP？: 2.946300000000001
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | DNA | Ki | 16800.0 | nM | 10.1016/j.ejmech.2007.07.004 |
| Electrophorus electricus | Acetylcholinesterase | IC50 | 96.46 | nM | 10.1016/j.bmcl.2007.04.015 |
| Equus caballus | Butyrylcholinesterase | IC50 | 4370.0 | nM | 10.1016/j.bmcl.2007.04.015 |
| Homo sapiens | HepG2 | IC50 | 9690.0 | nM | 10.1016/j.ejmech.2007.07.004 |
| Homo sapiens | MCF7 | IC50 | 17460.0 | nM | 10.1016/j.ejmech.2007.07.004 |
| Homo sapiens | NCI-H460 | IC50 | 9220.0 | nM | 10.1016/j.ejmech.2007.07.004 |
| None | Unchecked | Ratio IC50 | 45.0 | None | 10.1016/j.bmcl.2007.04.015 |