Chimanine B
AlkaPlorer ID: AK008623
Synonym: None
IUPAC Name: 2-[(E)-prop-1-enyl]quinoline
Structure
SMILES: C/C=C/C1=NC2=CC=CC=C2C=C1
InChI: InChI=1S/C12H11N/c1-2-5-11-9-8-10-6-3-4-7-12(10)13-11/h2-9H,1H3/b5-2+
InChIKey: NJEPMWNTUJFVTQ-GORDUTHDSA-N
Reference
PubChem CID: 6047558
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 169.227
TPSA？: 12.89
MolLogP？: 3.267900000000002
Number of H-Donors: 0
Number of H-Acceptors: 1
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | PBMC | IC50 | 42000.0 | nM | 10.1016/j.bmc.2006.09.068 |
| Homo sapiens | PBMC | IC50 | 43000.0 | nM | 10.1016/j.bmc.2006.09.068 |
| Leishmania amazonensis | Leishmania amazonensis | IC50 | 5000.0 | nM | 10.1016/j.bmc.2006.09.068 |
| Leishmania braziliensis | Leishmania braziliensis | IC90 | 25.0 | ug.mL-1 | 10.1016/j.bmc.2020.115973 |
| Leishmania braziliensis | Leishmania braziliensis | IC90 | 25.0 | ug.mL-1 | 10.1021/np50099a013 |
| Leishmania infantum | Leishmania infantum | IC50 | 7000.0 | nM | 10.1016/j.bmc.2006.09.068 |
| Leishmania mexicana venezuelensis | Leishmania mexicana venezuelensis | Activity | 95.0 | % | 10.1016/j.ejmech.2018.10.022 |
| Trypanosoma cruzi | Trypanosoma cruzi | IC90 | 25.0 | ug.mL-1 | 10.1021/np50099a013 |
| None | No relevant target | LogD | 2.23 | None | 10.1016/j.bmc.2006.09.068 |
| None | Unchecked | Ratio IC50 | 6.0 | None | 10.1016/j.bmc.2006.09.068 |
| None | Unchecked | Ratio IC50 | 8.4 | None | 10.1016/j.bmc.2006.09.068 |