Neoamphimedine
AlkaPlorer ID: AK015593
Synonym: ''
IUPAC Name: 5-methyl-5,10,20-triazapentacyclo[11.7.1.02,7.09,21.014,19]henicosa-1(20),2(7),3,9,11,13(21),14,16,18-nonaene-6,8-dione
Structure
SMILES: CN1C=CC2=C(C(=O)C3=NC=CC4=C5C=CC=CC5=NC2=C34)C1=O
InChI: InChI=1S/C19H11N3O2/c1-22-9-7-12-15(19(22)24)18(23)17-14-11(6-8-20-17)10-4-2-3-5-13(10)21-16(12)14/h2-9H,1H3
InChIKey: HHTUKGISODJJKH-UHFFFAOYSA-N
Reference
Structures and Cytotoxic Properties of Sponge-Derived Bisannulated Acridines
PubChem CID: 10041259
CAS: 221456-55-9
LOTUS: LTS0208532
SuperNatural Ⅲ: SN0125984
COCONUT: CNP0326932
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Neopetrosia carbonaria | Neopetrosia | Petrosiidae | Haplosclerida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 313.3160000000001
TPSA？: 64.85
MolLogP？: 2.693100000000001
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | DNA topoisomerase II alpha | Activity | nan | None | 10.1021/acs.jmedchem.9b01065 |
| Homo sapiens | DNA topoisomerase II alpha | Km | 518500.0 | nM | 10.1021/acs.jmedchem.9b01065 |
| Homo sapiens | DNA topoisomerase II alpha | Km | 651100.0 | nM | 10.1021/acs.jmedchem.9b01065 |
| Homo sapiens | DNA topoisomerase II alpha | Vmax | 0.6499 | pmol/s | 10.1021/acs.jmedchem.9b01065 |
| Homo sapiens | DNA topoisomerase II alpha | Vmax | 0.6573 | pmol/s | 10.1021/acs.jmedchem.9b01065 |
| None | Unchecked | Activity | nan | None | 10.1021/np060585w |