Molecule

Oxynitidine

AlkaPlorer ID: AK004519

Synonym: ''

IUPAC Name: 2,3-dimethoxy-12-methyl-[1,3]benzodioxolo[5,6-c]phenanthridin-13-one

SMILES: COC1=CC2=C(C=C1OC)C1=C(C3=CC4=C(C=C3C=C1)OCO4)N(C)C2=O

InChI: InChI=1S/C21H17NO5/c1-22-20-12(5-4-11-6-18-19(7-13(11)20)27-10-26-18)14-8-16(24-2)17(25-3)9-15(14)21(22)23/h4-9H,10H2,1-3H3

InChIKey: TVYBYUSEIMYSFA-UHFFFAOYSA-N

PubChem CID: 97597

CAS: 548-31-2

LOTUS: LTS0127416

SuperNatural Ⅲ: SN0361462

COCONUT: CNP0156858

data_source: manually

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Turraeanthus africanus	Turraeanthus	Meliaceae	Sapindales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Molecule Weight: 363.36900000000014

TPSA？: 58.92

MolLogP？: 3.5908000000000024

Number of H-Donors: 0

Number of H-Acceptors: 6

RingCount: 5

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A549	GI50	39000.0	nM	10.1016/j.ejmech.2019.05.074
Homo sapiens	A549	GI50	39380.0	nM	10.1021/acs.jmedchem.8b00639
Homo sapiens	CCRF-CEM	GI50	26520.0	nM	10.1021/acs.jmedchem.8b00639
Homo sapiens	DNA topoisomerase I	Inhibition	0.0	%	10.1016/j.ejmech.2019.05.074
Homo sapiens	DNA topoisomerase I	Inhibition	0.0	%	10.1021/acs.jmedchem.8b00639
Homo sapiens	DNA topoisomerase I	Inhibition	nan	%	10.1021/acs.jmedchem.8b00639
Homo sapiens	dsDNA	Delta Tm	0.4	degrees C	10.1021/acs.jmedchem.8b00639
Homo sapiens	DU-145	GI50	64000.0	nM	10.1016/j.ejmech.2019.05.074
Homo sapiens	DU-145	GI50	64230.0	nM	10.1021/acs.jmedchem.8b00639
Homo sapiens	HCT-116	GI50	74000.0	nM	10.1016/j.ejmech.2019.05.074
Homo sapiens	HCT-116	GI50	74790.0	nM	10.1021/acs.jmedchem.8b00639
Homo sapiens	Huh-7	GI50	100000.0	nM	10.1021/acs.jmedchem.8b00639
Homo sapiens	MCF7	GI50	31000.0	nM	10.1016/j.ejmech.2019.05.074
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Inhibition	nan	%	10.1021/acs.jmedchem.8b00639
Mus musculus	P388	Activity	nan	None	10.1021/np50054a014