Dibromodeoxytopsentin
AlkaPlorer ID: AK070450
Synonym: None
IUPAC Name: (6-bromo-1H-indol-3-yl)-[5-(6-bromo-1H-indol-3-yl)-1H-imidazol-2-yl]methanone
Structure
SMILES: O=C(C1=NC(C2=CNC3=CC(Br)=CC=C23)=CN1)C1=CNC2=CC(Br)=CC=C12
InChI: InChI=1S/C20H12Br2N4O/c21-10-1-3-12-14(7-23-16(12)5-10)18-9-25-20(26-18)19(27)15-8-24-17-6-11(22)2-4-13(15)17/h1-9,23-24H,(H,25,26)
InChIKey: RSGZGJXKRHURTQ-UHFFFAOYSA-N
Reference
PubChem CID: 11363725
CAS: 206008-06-2
LOTUS: LTS0244359
NPASS: NPC474357
COCONUT: CNP0177327
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | Spongosorites | Halichondriidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
| None | Spongosorites | Halichondriidae | Suberitida | Demospongiae | Porifera | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 484.1510000000001
TPSA？: 77.33
MolLogP？: 5.795300000000002
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 | 30.0 | ug ml-1 | 10.1021/np049577a |
| Homo sapiens | Pyruvate kinase isozymes M1/M2 | Inhibition | 0.0 | % | 10.1021/np500755v |
| Homo sapiens | Pyruvate kinase isozymes R/L | Inhibition | 40.0 | % | 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 |
| None | Unchecked | IC50 | 2.1 | nM | 10.1021/np500755v |