Methyl carbazole-3-carboxylate
AlkaPlorer ID: AK019169
Synonym: ''
IUPAC Name: methyl 9H-carbazole-3-carboxylate
Structure
SMILES: COC(=O)C1=CC=C2NC3=CC=CC=C3C2=C1
InChI: InChI=1S/C14H11NO2/c1-17-14(16)9-6-7-13-11(8-9)10-4-2-3-5-12(10)15-13/h2-8,15H,1H3
InChIKey: LZXXHWWSVRIDGR-UHFFFAOYSA-N
Reference
Alkaloidal and other constituents from the root bark of Clausena excavata
PubChem CID: 504069
CAS: 97931-41-4
LOTUS: LTS0207472
COCONUT: CNP0332910
data_source: manually
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Glycosmis pentaphylla | Glycosmis | Rutaceae | Sapindales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 225.247
TPSA？: 42.09
MolLogP？: 3.107700000000001
Number of H-Donors: 1
Number of H-Acceptors: 2
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | MIC | 128.0 | ug.mL-1 | 10.1021/np3000365 |
| Homo sapiens | HepG2 | IC50 | 36900.0 | nM | 10.1016/j.ejmech.2011.10.047 |
| Homo sapiens | KB | IC50 | 59700.0 | nM | 10.1021/np3000365 |
| Homo sapiens | Kinesin-like protein 1 | Inhibition | 3.0 | % | 10.1021/jm100476d |
| Homo sapiens | MCF7 | IC50 | 169800.0 | nM | 10.1021/np3000365 |
| Homo sapiens | NCI-H187 | IC50 | 95800.0 | nM | 10.1021/np3000365 |
| Homo sapiens | Raji | Activity | 60.0 | % | 10.1021/np990285x |
| Homo sapiens | Raji | Activity | 80.0 | % | 10.1021/np990285x |
| Mus musculus | Fructose-1,6-bisphosphatase 1 | IC50 | 300000.0 | nM | 10.1021/jm800720a |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 50.0 | ug.mL-1 | 10.1016/j.ejmech.2017.06.005 |
| Salmonella enterica subsp. enterica serovar Typhimurium | Salmonella typhimurium | MIC | 128.0 | ug.mL-1 | 10.1021/np3000365 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | nan | None | 10.1021/np3000365 |
| None | NON-PROTEIN TARGET | IC50 | 4300.0 | nM | 10.1021/np500088u |
| None | NON-PROTEIN TARGET | IC50 | 10000.0 | nM | 10.1021/np500088u |
| None | Unchecked | Activity | 21.7 | % | 10.1021/np990285x |
| None | Unchecked | Activity | 46.3 | % | 10.1021/np990285x |
| None | Unchecked | Activity | 81.4 | % | 10.1021/np990285x |
| None | Unchecked | Activity | 100.0 | % | 10.1021/np990285x |