Molecule

ethyl 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate

AlkaPlorer ID: AK504656

Synonym: None

IUPAC Name: ethyl 2-amino-7-hydroxy-4-phenyl-4H-chromene-3-carboxylate

SMILES: CCOC(=O)C1=C(N)OC2=CC(O)=CC=C2C1C1=CC=CC=C1

InChI: InChI=1S/C18H17NO4/c1-2-22-18(21)16-15(11-6-4-3-5-7-11)13-9-8-12(20)10-14(13)23-17(16)19/h3-10,15,20H,2,19H2,1H3

InChIKey: QSYXPLNCWYFNQS-UHFFFAOYSA-N

PubChem CID: 2790079

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Molecule Weight: 311.33700000000005

TPSA？: 81.78

MolLogP？: 2.6499000000000006

Number of H-Donors: 2

Number of H-Acceptors: 5

RingCount: 3

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Bacillus subtilis	4'-phosphopantetheinyl transferase ffp	Potency	1412.5	nM	None
Escherichia coli K-12	Beta-lactamase AmpC	Potency	7079.5	nM	None
Homo sapiens	Cystinyl aminopeptidase	Ki	100000.0	nM	10.1021/jm401540f
Homo sapiens	DNA dC->dU-editing enzyme APOBEC-3G	Potency	17782.8	nM	None
Homo sapiens	Estrogen receptor alpha	IC50	2360.0	nM	10.1016/j.bmc.2019.115261
Homo sapiens	Estrogen receptor beta	IC50	610.0	nM	10.1016/j.bmc.2019.115261
Homo sapiens	Geminin	Potency	29092.9	nM	None
Homo sapiens	Glucagon-like peptide 1 receptor	Potency	19952.6	nM	None
Homo sapiens	HepG2	Potency	15848.9	nM	None
Homo sapiens	Importin subunit beta-1/Snurportin-1	Potency	112201.8	nM	None
Homo sapiens	Isocitrate dehydrogenase [NADP] cytoplasmic	Potency	29092.9	nM	None
Homo sapiens	MCF7	IC50	100000.0	nM	10.1016/j.bmc.2019.115261
Homo sapiens	Menin/Histone-lysine N-methyltransferase MLL	Potency	39810.7	nM	None
Homo sapiens	Mothers against decapentaplegic homolog 3	Potency	25118.9	nM	None
Homo sapiens	Nuclear factor erythroid 2-related factor 2	Potency	14581.0	nM	None
Homo sapiens	Parathyroid hormone receptor	Potency	50118.7	nM	None
Homo sapiens	Rap guanine nucleotide exchange factor 4	Potency	39810.7	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	18356.4	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	29092.9	nM	None
None	Unchecked	Potency	19952.6	nM	None
None	Unchecked	Potency	29092.9	nM	None
None	Unchecked	Ratio IC50	0.26	None	10.1016/j.bmc.2019.115261