3-Hydroxykynurenine; (±)-form, Hydrobromide (1:2)
AlkaPlorer ID: AK301313
Synonym: None
IUPAC Name: 2-amino-4-(2-amino-3-hydroxyphenyl)-4-oxobutanoic acid
Structure
SMILES: NC1=C(C(=O)CC(N)C(=O)O)C=CC=C1O
InChI: InChI=1S/C10H12N2O4/c11-6(10(15)16)4-8(14)5-2-1-3-7(13)9(5)12/h1-3,6,13H,4,11-12H2,(H,15,16)
InChIKey: VCKPUUFAIGNJHC-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Calliphora | Calliphoridae | Diptera | Insecta | Arthropoda | Metazoa | Eukaryota |
| Homo sapiens | Homo | Hominidae | Primates | Mammalia | Chordata | Metazoa | Eukaryota |
| Sepia officinalis | Sepia | Sepiidae | Sepiida | Cephalopoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 224.216
TPSA？: 126.64
MolLogP？: -0.0408999999999996
Number of H-Donors: 4
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Kynureninase | Kcat | 3.5 | /s | 10.1021/jm8010806 |
| Homo sapiens | Kynureninase | Kcat | 3.9 | 10'-3/s | 10.1021/jm8010806 |
| Homo sapiens | Kynureninase | Kcat | 10.9 | 10'-3/s | 10.1021/jm8010806 |
| Homo sapiens | Kynureninase | Kcat/Km | 0.0165 | /M/s | 10.1021/jm8010806 |
| Homo sapiens | Kynureninase | Kcat/Km | 1.23 | 10'5/M/s | 10.1021/jm8010806 |
| Homo sapiens | Kynureninase | Kcat/Km | 19.8 | /M/s | 10.1021/jm8010806 |
| Homo sapiens | Kynureninase | Kcat/Km | 21.5 | /M/s | 10.1021/jm8010806 |
| Homo sapiens | Kynureninase | Km | 28300.0 | nM | 10.1021/jm8010806 |
| Homo sapiens | Kynureninase | Km | 200000.0 | nM | 10.1021/jm8010806 |
| Homo sapiens | Kynureninase | Km | 510000.0 | nM | 10.1021/jm8010806 |
| Rattus norvegicus | Amino acid transporter | Inhibition | 25.0 | % | None |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |