Carcinine
AlkaPlorer ID: AK027621
Synonym: 3-Amino-N-[2-(1H-imidazol-4-yl)ethyl]propanamide, N-β-Alanylhistamine
IUPAC Name: 3-amino-N-[2-(1H-imidazol-5-yl)ethyl]propanamide
Structure
SMILES: NCCC(O)=NCCC1=CN=CN1
InChI: InChI=1S/C8H14N4O/c9-3-1-8(13)11-4-2-7-5-10-6-12-7/h5-6H,1-4,9H2,(H,10,12)(H,11,13)
InChIKey: ANRUJJLGVODXIK-UHFFFAOYSA-N
Reference
Quantification of Histamine and Carcinine in <i>Drosophila melanogaster</i> Tissues
PubChem CID: 2574
CAS: 19226-03-0
LOTUS: LTS0123140
NPASS: NPC327613
COCONUT: CNP0177487
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Drosophila melanogaster | Drosophila | Drosophilidae | Diptera | Insecta | Arthropoda | Metazoa | Eukaryota |
| Carcinus maenas | Carcinus | Carcinidae | Decapoda | Malacostraca | Arthropoda | Metazoa | Eukaryota |
| None | None | None | None | None | Arthropoda | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 182.22700000000003
TPSA？: 87.28999999999999
MolLogP？: 0.2574999999999994
Number of H-Donors: 3
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 | 28183.8 | nM | None |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 19952.6 | nM | None |
| Homo sapiens | Cytochrome P450 1A2 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C19 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C19 | Potency | 12589.3 | nM | None |
| Homo sapiens | Cytochrome P450 2C19 | Potency | 19952.6 | nM | None |
| Homo sapiens | Cytochrome P450 2C9 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | 10000.0 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | 31622.78 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | Potency | 10000.0 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | Potency | 31622.8 | nM | None |
| Homo sapiens | Cytochrome P450 3A4 | AC50 | 39810.72 | nM | None |
| Homo sapiens | Cytochrome P450 3A4 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 3A4 | Potency | 39810.7 | nM | None |
| Homo sapiens | Geminin | Potency | 5.2 | nM | None |
| Homo sapiens | Geminin | Potency | 145.8 | nM | None |
| Homo sapiens | Histone acetyltransferase GCN5 | Potency | 56.2 | nM | None |
| Homo sapiens | IL15-IL15 receptor | Inhibition | nan | % | 10.1016/j.ejmech.2017.05.034 |
| Homo sapiens | Importin subunit beta-1/Snurportin-1 | Potency | 35481.3 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4A | Potency | 89125.1 | nM | None |
| Homo sapiens | PBMC | Activity | nan | None | 10.1016/j.ejmech.2017.05.034 |
| Homo sapiens | Thyroid stimulating hormone receptor | Potency | 25118.9 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 10417.9 | nM | None |
| Rattus norvegicus | Histamine H3 receptor | Ki | 294.0 | nM | 10.1021/jm8003625 |
| 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 |
| None | Unchecked | Potency | 251.2 | nM | None |