3-(2,4-dioxo-1,4-dihydroquinazolin-3(2H)-yl)propanoic acid
AlkaPlorer ID: AK007130
Synonym: None
IUPAC Name: 3-(2,4-dioxo-1H-quinazolin-3-yl)propanoic acid
Structure
SMILES: C1=CC=C2C(=C1)C(=O)N(C(=O)N2)CCC(=O)O
InChI: InChI=1S/C11H10N2O4/c14-9(15)5-6-13-10(16)7-3-1-2-4-8(7)12-11(13)17/h1-4H,5-6H2,(H,12,17)(H,14,15)
InChIKey: IKWWAVVLXMHYLN-UHFFFAOYSA-N
Reference
Alkaloids with Nitric Oxide Inhibitory Activities from the Roots of Isatis tinctoria
PubChem CID: 3385813
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Isatis tinctoria | Isatis | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 234.21099999999996
TPSA？: 92.16000000000001
MolLogP？: 0.1644999999999998
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis (strain 168) | ATP-dependent Clp protease proteolytic subunit | Potency | 35481.3 | nM | None |
| Homo sapiens | 15-hydroxyprostaglandin dehydrogenase [NAD+] | Potency | 17782.8 | nM | None |
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 39810.7 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 3162.3 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 19952.6 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 35481.3 | nM | None |
| Homo sapiens | Nuclear factor erythroid 2-related factor 2 | Potency | 3662.6 | nM | None |
| Homo sapiens | Rap guanine nucleotide exchange factor 4 | Potency | 39810.7 | nM | None |
| Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 | Potency | 25118.9 | nM | None |
| None | Unchecked | Potency | 25929.0 | nM | None |