Isoconessimine
AlkaPlorer ID: AK032071
Synonym: None
IUPAC Name: (1R,2S,5S,6S,9R,12S,13R,16S)-N,6,7,13-tetramethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-16-amine
Structure
SMILES: CN[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]5[C@H](C)N(C)C[C@@]54CC[C@@H]32)C1
InChI: InChI=1S/C23H38N2/c1-15-19-7-8-21-18-6-5-16-13-17(24-3)9-11-22(16,2)20(18)10-12-23(19,21)14-25(15)4/h5,15,17-21,24H,6-14H2,1-4H3/t15-,17-,18+,19+,20-,21-,22-,23-/m0/s1
InChIKey: UBWOPONWVXRTKE-ALCLCTQTSA-N
Source
Properties Information
Molecule Weight: 342.5710000000002
TPSA?: 15.27
MolLogP?: 4.467400000000004
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Entamoeba histolytica | Entamoeba histolytica | IC50 | 20.9 | ug.mL-1 | 10.1007/s00044-011-9767-1 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 3390.0 | nM | 10.1016/j.bmcl.2005.03.021 |
| Rattus norvegicus | Rattus norvegicus | Selectivity index | 10.8 | uM | 10.1016/j.bmcl.2005.03.021 |
| None | NON-PROTEIN TARGET | IC50 | 36550.0 | nM | 10.1016/j.bmcl.2005.03.021 |
