None
AlkaPlorer ID: AK322703
Synonym: None
IUPAC Name: 3-[(3R,9S,9aR)-9-hydroxy-4,4-dimethyl-2-oxo-3,6,7,8,9,9a-hexahydro-1H-quinolizin-3-yl]quinazolin-4-one
Structure
SMILES: CC1(C)[C@@H](N2C=NC3=CC=CC=C3C2=O)C(=O)C[C@@H]2[C@@H](O)CCCN21
InChI: InChI=1S/C19H23N3O3/c1-19(2)17(16(24)10-14-15(23)8-5-9-22(14)19)21-11-20-13-7-4-3-6-12(13)18(21)25/h3-4,6-7,11,14-15,17,23H,5,8-10H2,1-2H3/t14-,15+,17+/m1/s1
InChIKey: BGGMJBAZWROVFT-VYDXJSESSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hydrangea chinensis | Hydrangea | Hydrangeaceae | Cornales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 341.4110000000001
TPSA？: 75.42999999999999
MolLogP？: 1.5142999999999998
Number of H-Donors: 1
Number of H-Acceptors: 6
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | NUGC | Activity | nan | None | 10.1021/np010091t |
| Mus musculus | FM3A | EC50 | 380.0 | nM | 10.1021/jm010448q |
| Mus musculus | FM3A | EC50 | 380.0 | nM | 10.1021/jm0302086 |
| Mus musculus | FM3A | EC50 | 380.0 | nM | 10.1021/jm990131e |
| Mus musculus | FM3A | Selectivity | 238.0 | None | 10.1021/jm010448q |
| Mus musculus | Mus musculus | ED50 | 7.3 | umol.kg-1 | 10.1021/jm990131e |
| Mus musculus | Mus musculus | ED90 | 19.4 | uM kg-1 | 10.1021/jm990131e |
| Plasmodium berghei | Plasmodium berghei | ED50 | 2.5 | mg.kg-1 | 10.1021/jm0302086 |
| Plasmodium berghei | Plasmodium berghei | ED50 | 6.0 | umol.kg-1 | 10.1016/j.bmc.2008.10.072 |
| Plasmodium berghei | Plasmodium berghei | ED90 | 6.6 | mg kg-1 | 10.1021/jm0302086 |
| Plasmodium falciparum | Plasmodium falciparum | EC50 | 1.6 | nM | 10.1016/j.bmc.2014.02.040 |
| Plasmodium falciparum | Plasmodium falciparum | EC50 | 1.6 | nM | 10.1021/jm0302086 |
| Plasmodium falciparum | Plasmodium falciparum | EC50 | 1.6 | nM | 10.1021/jm990131e |
| Plasmodium falciparum | Plasmodium falciparum | EC50 | 3.0 | nM | 10.1021/jm990131e |
| None | NON-PROTEIN TARGET | Activity | nan | None | 10.1021/np010091t |
| None | NON-PROTEIN TARGET | Ratio | 238.0 | None | 10.1021/jm0302086 |
| None | NON-PROTEIN TARGET | Selectivity | 127.0 | None | 10.1021/jm990131e |
| None | NON-PROTEIN TARGET | Selectivity | 238.0 | None | 10.1021/jm990131e |
| None | Unchecked | EC50 | 1.6 | nM | 10.1021/jm010448q |