None
AlkaPlorer ID: AK568457
Synonym: None
IUPAC Name: 4-[(5-bromopyridin-2-yl)amino]-4-oxobutanoic acid
Structure
SMILES: O=C(O)CCC(O)=NC1=CC=C(Br)C=N1
InChI: InChI=1S/C9H9BrN2O3/c10-6-1-2-7(11-5-6)12-8(13)3-4-9(14)15/h1-2,5H,3-4H2,(H,14,15)(H,11,12,13)
InChIKey: XFYYQDHEDOXWGA-UHFFFAOYSA-N
Reference
Alkaloid-Bearing Plants and Their Contained Alkaloids. 1957-1968
PubChem CID: 647833
CAS: 188011-69-0
LOTUS: LTS0040960
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Abrus precatorius | Abrus | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 273.086
TPSA？: 82.78
MolLogP？: 2.2969
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli K-12 | Beta-lactamase AmpC | Potency | 3981.1 | nM | None |
| Homo sapiens | Cellular tumor antigen p53 | Potency | 19952.6 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 79432.8 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 1258.9 | nM | None |
| Homo sapiens | Thyroid stimulating hormone receptor | Potency | 5011.9 | nM | None |
| Mus musculus | Nuclear receptor ROR-gamma | Potency | 562.3 | nM | None |