Corydine
AlkaPlorer ID: AK006807
Synonym: None
IUPAC Name: (6aS)-2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
Structure
SMILES: COC1=CC2=C3C(=C1O)C1=C(C=CC(OC)=C1OC)C[C@@H]3N(C)CC2
InChI: InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)19(22)18-16(12)13(21)9-11-5-6-14(23-2)20(25-4)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1
InChIKey: IDQUPXZJURZAGF-ZDUSSCGKSA-N
Source
Properties Information
Molecule Weight: 341.4070000000001
TPSA？: 51.16
MolLogP？: 3.170100000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Entamoeba histolytica | Entamoeba histolytica | IC50 | 30.89 | ug.mL-1 | 10.1007/s00044-011-9767-1 |
| Entamoeba histolytica | Entamoeba histolytica | IC50 | 90600.0 | nM | 10.1021/np000144r |
| Homo sapiens | Cyclin-dependent kinase 2 | IC50 | 50000.0 | nM | 10.1016/j.bmcl.2010.01.007 |
| Homo sapiens | HeLa | IC50 | 200000.0 | nM | 10.1016/j.bmc.2017.10.027 |
| Homo sapiens | HepG2 | IC50 | 200000.0 | nM | 10.1016/j.bmc.2017.10.027 |
| Homo sapiens | KB | IC50 | 733000.0 | nM | 10.1021/np000144r |
| Homo sapiens | MGC-803 | IC50 | 200000.0 | nM | 10.1016/j.bmc.2017.10.027 |
| Plasmodium falciparum | Plasmodium falciparum | ED50 | 4010.0 | ng/ml | 10.1021/np50099a005 |
| Plasmodium falciparum | Plasmodium falciparum | ED50 | 5800.0 | ng/ml | 10.1021/np50099a005 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 22300.0 | nM | 10.1021/np000144r |
| Plasmodium falciparum | Plasmodium falciparum | Inhibition | -4.0 | % | 10.6019/CHEMBL4888484 |
| Plasmodium falciparum | Plasmodium falciparum | Z score | 0.52 | None | 10.6019/CHEMBL4888484 |