2-(2-{5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl}-1H-indol-3-yl)ethan-1-ol
AlkaPlorer ID: AK320134
Synonym: None
IUPAC Name: 2-[2-(5-ethenyl-1-azabicyclo[2.2.2]octan-2-yl)-1H-indol-3-yl]ethanol
Structure
SMILES: C=CC1CN2CCC1CC2C1=C(CCO)C2=CC=CC=C2N1
InChI: InChI=1S/C19H24N2O/c1-2-13-12-21-9-7-14(13)11-18(21)19-16(8-10-22)15-5-3-4-6-17(15)20-19/h2-6,13-14,18,20,22H,1,7-12H2
InChIKey: YAUKSCGKZYUZRH-UHFFFAOYSA-N
Reference
Investigation of Cinchona leaf alkaloids by high-performance liquid chromatography
PubChem CID: 521233
CAS: 50841-32-2
LOTUS: LTS0104634
NPASS: NPC317430
COCONUT: CNP0252005.2
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 296.414
TPSA？: 39.26
MolLogP？: 3.271600000000001
Number of H-Donors: 2
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | DNA polymerase iota | Potency | 89125.1 | nM | None |
| Homo sapiens | Geminin | Potency | 1636.0 | nM | None |
| Homo sapiens | Geminin | Potency | 25929.0 | nM | None |
| Homo sapiens | Neuronal acetylcholine receptor; alpha4/beta2 | Activity | nan | None | 10.1016/j.bmc.2011.08.028 |
| Homo sapiens | Neuronal acetylcholine receptor protein alpha-7 subunit | Ki | 31622.78 | nM | 10.1016/j.bmc.2011.08.028 |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 580.5 | nM | None |
| Lymnaea stagnalis | Acetylcholine-binding protein | Ki | 398.11 | nM | 10.1016/j.bmc.2011.08.028 |
| Macaca fascicularis | T-complex protein 1 subunit beta | Potency | 12589.3 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Inhibition | -42.0 | % | 10.6019/CHEMBL4888484 |
| Plasmodium falciparum | Plasmodium falciparum | Z score | 4.88 | None | 10.6019/CHEMBL4888484 |
| None | Unchecked | Potency | 580.5 | nM | None |