5-Amino-1,3-cyclohexadiene-1-carboxylic acid; (±)-form
AlkaPlorer ID: AK284590
Synonym: None
IUPAC Name: 5-aminocyclohexa-1,3-diene-1-carboxylic acid
Structure
SMILES: NC1C=CC=C(C(=O)O)C1
InChI: InChI=1S/C7H9NO2/c8-6-3-1-2-5(4-6)7(9)10/h1-3,6H,4,8H2,(H,9,10)
InChIKey: KFNRJXCQEJIBER-UHFFFAOYSA-N
Reference
Gabaculine: γ-aminobutyrate aminotransferase inhibitor of microbial origin
PubChem CID: 3445
CAS: 59556-29-5
LOTUS: LTS0209757
COCONUT: CNP0312678.2
{NPAtlas: NPA013886
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces toyocaensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 139.15399999999997
TPSA？: 63.32000000000001
MolLogP？: 0.2845999999999997
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | ATPase family AAA domain-containing protein 5 | Potency | 1457.5 | nM | None |
| Homo sapiens | DNA-(apurinic or apyrimidinic site) lyase | Potency | 12589.3 | nM | None |
| Homo sapiens | DNA polymerase kappa | Potency | 10000.0 | nM | None |
| Homo sapiens | HEK293 | Potency | 580.2 | nM | None |
| Homo sapiens | Histone acetyltransferase GCN5 | Potency | 35481.3 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 2377.8 | nM | None |
| Homo sapiens | Regulator of G-protein signaling 4 | Potency | 945.7 | nM | None |
| Homo sapiens | Runt-related transcription factor 1/Core-binding factor subunit beta | Potency | 31622.8 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 1122.0 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 3981.1 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 2238.7 | nM | None |