Phenazine 1
AlkaPlorer ID: AK000092
Synonym: 'Phenazine 1'
IUPAC Name: 2-bromo-5-[(2,4,4-trimethylcyclohexen-1-yl)methyl]phenazin-1-one
Structure
SMILES: CC1=C(CN2C3=CC=C(Br)C(=O)C3=NC3=CC=CC=C32)CCC(C)(C)C1
InChI: InChI=1S/C22H23BrN2O/c1-14-12-22(2,3)11-10-15(14)13-25-18-7-5-4-6-17(18)24-20-19(25)9-8-16(23)21(20)26/h4-9H,10-13H2,1-3H3
InChIKey: ISRGBERFYCZNPL-UHFFFAOYSA-N
Reference
Novel Marine Phenazines as Potential Cancer Chemopreventive and Anti-Inflammatory Agents
PubChem CID: 132570349
LOTUS: LTS0050950
COCONUT: CNP0343016
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 411.3430000000002
TPSA？: 34.89
MolLogP？: 5.790400000000004
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Candida albicans | Candida albicans | MIC | 950.0 | nM | 10.1016/j.ejmech.2020.112957 |
| Homo sapiens | HCT-116 | IC50 | 49.0 | nM | 10.1016/j.ejmech.2020.112957 |
| Mus musculus | RAW264.7 | IC50 | 7500.0 | nM | 10.1016/j.bmc.2017.01.002 |
| Mus musculus | RAW264.7 | IC50 | 48600.0 | nM | 10.1016/j.bmc.2017.01.002 |
| None | Unchecked | IC50 | 4100.0 | nM | 10.1016/j.bmc.2017.01.002 |