3-(4-bromophenyl)-2-methyl-4-oxo-8-(piperidinium-1-ylmethyl)-4H-chromen-7-olate
AlkaPlorer ID: AK274953
Synonym: None
IUPAC Name: 3-(4-bromophenyl)-7-hydroxy-2-methyl-8-(piperidin-1-ylmethyl)chromen-4-one
Structure
SMILES: CC1=C(C2=CC=C(Br)C=C2)C(=O)C2=CC=C(O)C(CN3CCCCC3)=C2O1
InChI: InChI=1S/C22H22BrNO3/c1-14-20(15-5-7-16(23)8-6-15)21(26)17-9-10-19(25)18(22(17)27-14)13-24-11-3-2-4-12-24/h5-10,25H,2-4,11-13H2,1H3
InChIKey: MKWUXXVIKFHKLC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 428.3260000000003
TPSA？: 53.68
MolLogP？: 5.222420000000005
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Chromobox protein homolog 1 | Potency | 100000.0 | nM | None |
| Homo sapiens | Glycoprotein hormones alpha chain | Potency | 5011.9 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 35481.3 | nM | None |
| Homo sapiens | Kallikrein 7 | EC50 | 9726.0 | nM | None |
| Homo sapiens | Menin/Histone-lysine N-methyltransferase MLL | Potency | 14125.4 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 25929.0 | nM | None |
| Homo sapiens | Sphingomyelin phosphodiesterase | Potency | 25118.9 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 1168.9 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 2936.2 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 56234.1 | nM | None |
| None | Unchecked | EC50 | 69503.0 | nM | None |