3-[(5S)-2-[bis(6-bromo-1H-indol-3-yl)methyl]-4,5-dihydro-1H-imidazol-5-yl]-6-bromo-1H-indole
AlkaPlorer ID: AK142427
Synonym: None
IUPAC Name: 3-[(5S)-2-[bis(6-bromo-1H-indol-3-yl)methyl]-4,5-dihydro-1H-imidazol-5-yl]-6-bromo-1H-indole
Structure
SMILES: BrC1=CC=C2C(C(C3=NC[C@H](C4=CNC5=CC(Br)=CC=C45)N3)C3=CNC4=CC(Br)=CC=C34)=CNC2=C1
InChI: InChI=1S/C28H20Br3N5/c29-14-1-4-17-20(10-32-23(17)7-14)26-13-35-28(36-26)27(21-11-33-24-8-15(30)2-5-18(21)24)22-12-34-25-9-16(31)3-6-19(22)25/h1-12,26-27,32-34H,13H2,(H,35,36)/t26-/m1/s1
InChIKey: BNNNLQQFBUPPAL-AREMUKBSSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 666.215
TPSA？: 71.75999999999999
MolLogP？: 8.292900000000003
Number of H-Donors: 4
Number of H-Acceptors: 2
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus aethiops | BSC-1 | IC50 | 46000.0 | nM | 10.1021/acs.jnatprod.7b00452 |
| Escherichia coli | Escherichia coli | MIC | 100.0 | ug.mL-1 | 10.1021/acs.jnatprod.7b00452 |
| Homo sapiens | HCT-116 | IC50 | 10000.0 | nM | 10.1021/acs.jnatprod.7b00452 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | 2700.0 | nM | 10.1021/acs.jnatprod.7b00452 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | 3900.0 | nM | 10.1021/acs.jnatprod.7b00452 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 1.2 | ug.mL-1 | 10.1021/acs.jnatprod.7b00452 |