Indirubin; 6-Bromo
AlkaPlorer ID: AK302445
Synonym: 6-Bromoindirubin
IUPAC Name: 2-(6-bromo-2-hydroxy-1H-indol-3-yl)indol-3-one
Structure
SMILES: O=C1NC2=CC(Br)=CC=C2/C1=C1/NC2=CC=CC=C2C1=O
InChI: InChI=1S/C16H9BrN2O2/c17-8-5-6-9-12(7-8)19-16(21)13(9)14-15(20)10-3-1-2-4-11(10)18-14/h1-7,18H,(H,19,21)/b14-13-
InChIKey: BUPAMFGRFQGRCA-YPKPFQOOSA-N
Reference
CAS: 200273-66-1
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Hexaplex trunculus | Hexaplex | Muricidae | Neogastropoda | Gastropoda | Mollusca | Metazoa | Eukaryota |
Properties Information
Molecule Weight: 341.16400000000004
TPSA？: 58.2
MolLogP？: 3.420700000000002
Number of H-Donors: 2
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | HepG2 | IC50 | 100000.0 | nM | 10.1016/j.bmc.2017.07.009 |
| Homo sapiens | KCL-22 | Activity | 50.0 | % | 10.1021/acs.jnatprod.6b00285 |
| Mus musculus | HT-22 | Activity | nan | None | 10.1016/j.bmcl.2017.10.069 |