Deoxytopsentin
AlkaPlorer ID: AK005938
Synonym: None
IUPAC Name: 1H-indol-3-yl-[5-(1H-indol-3-yl)-1H-imidazol-2-yl]methanone
Structure
SMILES: O=C(C1=NC(C2=CNC3=CC=CC=C23)=CN1)C1=CNC2=CC=CC=C12
InChI: InChI=1S/C20H14N4O/c25-19(15-10-22-17-8-4-2-6-13(15)17)20-23-11-18(24-20)14-9-21-16-7-3-1-5-12(14)16/h1-11,21-22H,(H,23,24)
InChIKey: OBDUUEITYHUFCW-UHFFFAOYSA-N
Reference
New Bis(Indole) Alkaloids of the Topsentin Class from the Sponge <i>Spongosorites genitrix</i>
PubChem CID: 183527
CAS: 112515-42-1
LOTUS: LTS0065347
COCONUT: CNP0211413
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 326.3590000000001
TPSA？: 77.33
MolLogP？: 4.2703000000000015
Number of H-Donors: 3
Number of H-Acceptors: 2
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | A549 | ED50 | 30.0 | ug ml-1 | 10.1021/np049577a |
| Homo sapiens | HCT-15 | ED50 | 26.18 | ug ml-1 | 10.1021/np049577a |
| Homo sapiens | Pyruvate kinase isozymes M1/M2 | Inhibition | nan | % | 10.1021/np500755v |
| Homo sapiens | Pyruvate kinase isozymes R/L | Inhibition | nan | % | 10.1021/np500755v |
| Homo sapiens | SK-MEL-2 | ED50 | 30.0 | ug ml-1 | 10.1021/np049577a |
| Homo sapiens | SK-OV-3 | ED50 | 30.0 | ug ml-1 | 10.1021/np049577a |
| Homo sapiens | XF498 | ED50 | 30.0 | ug ml-1 | 10.1021/np049577a |
| Staphylococcus aureus | Sortase A | IC50 | 15.67 | ug.mL-1 | 10.1016/j.bmc.2009.02.008 |
| Staphylococcus aureus | Sortase A | IC50 | 15.67 | ug.mL-1 | 10.1016/j.bmcl.2005.08.021 |
| Staphylococcus aureus | Sortase A | IC50 | 48000.0 | nM | 10.1021/acs.jmedchem.1c00386 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 6.25 | ug.mL-1 | 10.1016/j.bmcl.2005.08.021 |
| None | Unchecked | IC50 | 240.0 | nM | 10.1021/np500755v |