Olivacine
AlkaPlorer ID: AK003965
Synonym: None
IUPAC Name: 1,5-dimethyl-2H-pyrido[4,3-b]carbazole
Structure
SMILES: CC1=NC=CC2=C(C)C3=C(C=C12)C1=CC=CC=C1N3
InChI: InChI=1S/C17H14N2/c1-10-12-7-8-18-11(2)14(12)9-15-13-5-3-4-6-16(13)19-17(10)15/h3-9,19H,1-2H3
InChIKey: ZIXGXMMUKPLXBB-UHFFFAOYSA-N
Reference
Chemical Constituents and Pharmacological Activities of<i>Peschiera australis</i>
CAS: 484-49-1
LOTUS: LTS0125670
COCONUT: CNP0372888
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Tabernaemontana heterophylla | Tabernaemontana | Apocynaceae | Gentianales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 246.313
TPSA？: 28.68
MolLogP？: 4.486140000000003
Number of H-Donors: 1
Number of H-Acceptors: 1
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Homo sapiens | TGI | 3600.0 | nM | 10.1021/jm00040a010 |
| Homo sapiens | Homo sapiens | TGI | 3700.0 | nM | 10.1021/jm00040a010 |
| Homo sapiens | Homo sapiens | TGI correlation coefficient | 0.5 | None | 10.1021/jm00040a010 |
| Homo sapiens | NCI-H358 | IC50 | 2300.0 | nM | 10.1021/jm00104a011 |
| Homo sapiens | NCI-H417 | IC50 | 3400.0 | nM | 10.1021/jm00104a011 |
| Homo sapiens | NCI-H460 | IC50 | 1600.0 | nM | 10.1021/jm00104a011 |
| Homo sapiens | NCI-H69 | IC50 | 1700.0 | nM | 10.1021/jm00104a011 |
| Mus musculus | L1210 | ID50 | 2.03 | uM | 10.1021/jm00383a004 |
| Mus musculus | L1210 | ILS | 35.0 | % | 10.1021/jm00383a004 |
| Mus musculus | Mus musculus | LD0 | 250.0 | mg kg-1 | 10.1021/jm00383a004 |
| Plasmodium berghei | Plasmodium berghei | Inhibition | 48.0 | % | 10.1016/j.bmcl.2014.04.070 |
| Plasmodium berghei | Plasmodium berghei | Inhibition | 90.0 | % | 10.1016/j.bmcl.2014.04.070 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 400.0 | nM | 10.1016/j.bmcl.2014.04.070 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 1200.0 | nM | 10.1016/j.bmcl.2014.04.070 |
| None | ADMET | IC50 | 140000.0 | nM | 10.1016/j.bmcl.2014.04.070 |
| None | Unchecked | Ratio | 1.0 | None | 10.1021/jm00040a010 |
| None | Unchecked | Ratio IC50 | 290.0 | None | 10.1016/j.bmcl.2014.04.070 |