(1S,5R)-1,3,8,8-tetramethyl-3-[3-(trimethylammonio)propyl]-3-azabicyclo[3.2.1]octan-3-ium
AlkaPlorer ID: AK319036
Synonym: None
IUPAC Name: trimethyl-[3-(1,3,8,8-tetramethyl-3-azoniabicyclo[3.2.1]octan-3-yl)propyl]azanium
Structure
SMILES: CC12CCC(C[N+](C)(CCC[N+](C)(C)C)C1)C2(C)C
InChI: InChI=1S/C17H36N2/c1-16(2)15-9-10-17(16,3)14-19(7,13-15)12-8-11-18(4,5)6/h15H,8-14H2,1-7H3/q+2
InChIKey: GPUGLFZXYGTLBI-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Saposhnikovia divaricata | Saposhnikovia | Apiaceae | Apiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 268.489
TPSA？: 0.0
MolLogP？: 2.985400000000001
Number of H-Donors: 0
Number of H-Acceptors: 0
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Histone acetyltransferase GCN5 | Potency | 22387.2 | nM | None |
| Homo sapiens | Histone-lysine N-methyltransferase, H3 lysine-9 specific 3 | Potency | 1258.9 | nM | None |
| Rattus norvegicus | Peripheral myelin protein 22 | Potency | 143.8 | nM | 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 |