Molecule

[[Amino-(3,4-dimethoxyphenyl)methylidene]amino] 4-methoxybenzoate

AlkaPlorer ID: AK367342

Synonym: None

IUPAC Name: [(E)-[amino-(3,4-dimethoxyphenyl)methylidene]amino] 4-methoxybenzoate

SMILES: COC1=CC=C(C(=O)O/N=C(\N)C2=CC=C(OC)C(OC)=C2)C=C1

InChI: InChI=1S/C17H18N2O5/c1-21-13-7-4-11(5-8-13)17(20)24-19-16(18)12-6-9-14(22-2)15(10-12)23-3/h4-10H,1-3H3,(H2,18,19)

InChIKey: DMKLDRHNNLVUFN-UHFFFAOYSA-N

PubChem CID: 5347215

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain

Molecule Weight: 330.34000000000003

TPSA？: 92.37

MolLogP？: 2.1897

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	ATPase family AAA domain-containing protein 5	Potency	20587.8	nM	None
Homo sapiens	Breast cancer type 1 susceptibility protein	Potency	12589.3	nM	None
Homo sapiens	Caspase-3	IC50	13300.0	nM	None
Homo sapiens	Cellular tumor antigen p53	Potency	11220.2	nM	None
Homo sapiens	Glycoprotein hormones alpha chain	Potency	5011.9	nM	None
Homo sapiens	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Potency	1258.9	nM	None
Homo sapiens	microRNA 21	Potency	2612.2	nM	None
Homo sapiens	Nuclear factor erythroid 2-related factor 2	Potency	8199.5	nM	None
Homo sapiens	Ras-related protein Rab-9A	Potency	5623.4	nM	None
Homo sapiens	Sentrin-specific protease 6	IC50	11500.0	nM	None
Homo sapiens	Sentrin-specific protease 7	IC50	8960.0	nM	None
Homo sapiens	Sentrin-specific protease 8	IC50	11500.0	nM	None
Homo sapiens	TAR DNA-binding protein 43	Potency	10000.0	nM	None
Homo sapiens	Tyrosyl-DNA phosphodiesterase 1	Potency	20596.2	nM	None
Influenza A virus	Nonstructural protein 1	Potency	10000.0	nM	None
Mus musculus	Nuclear receptor ROR-gamma	Potency	11220.2	nM	None
Photinus pyralis	Luciferin 4-monooxygenase	Potency	7568.6	nM	None
Plasmodium falciparum	Plasmodium falciparum	Potency	10417.9	nM	None