(S)-(6-bromo-1H-indol-3-yl)-[(5S)-5-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]methanol
AlkaPlorer ID: AK142429
Synonym: None
IUPAC Name: (S)-(6-bromo-1H-indol-3-yl)-[(5S)-5-(6-bromo-1H-indol-3-yl)-4,5-dihydro-1H-imidazol-2-yl]methanol
Structure
SMILES: O[C@H](C1=NC[C@H](C2=CNC3=CC(Br)=CC=C23)N1)C1=CNC2=CC(Br)=CC=C12
InChI: InChI=1S/C20H16Br2N4O/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/h1-8,18-19,23-24,27H,9H2,(H,25,26)/t18-,19+/m1/s1
InChIKey: LPJIWKMDUUZZII-MOPGFXCFSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 488.1830000000001
TPSA？: 76.2
MolLogP？: 4.950600000000002
Number of H-Donors: 4
Number of H-Acceptors: 3
RingCount: 5
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus aethiops | BSC-1 | IC50 | 93000.0 | 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 | 16000.0 | nM | 10.1021/acs.jnatprod.7b00452 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | 3500.0 | nM | 10.1021/acs.jnatprod.7b00452 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | IC50 | 4500.0 | nM | 10.1021/acs.jnatprod.7b00452 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 3.7 | ug.mL-1 | 10.1021/acs.jnatprod.7b00452 |