2-(6,8-Dibromo-5,7-dimethyl-imidazo[1,2-a]pyridin-3-ylmethylsulfanyl)-ethanol
AlkaPlorer ID: AK411524
Synonym: None
IUPAC Name: 2-[(6,8-dibromo-5,7-dimethylimidazo[1,2-a]pyridin-3-yl)methylsulfanyl]ethanol
Structure
SMILES: CC1=C(Br)C2=NC=C(CSCCO)N2C(C)=C1Br
InChI: InChI=1S/C12H14Br2N2OS/c1-7-10(13)8(2)16-9(6-18-4-3-17)5-15-12(16)11(7)14/h5,17H,3-4,6H2,1-2H3
InChIKey: IKMDAJQFLYGHII-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Penicillium roqueforti | Penicillium | Aspergillaceae | Eurotiales | Eurotiomycetes | Ascomycota | Fungi | Eukaryota |
Properties Information
Molecule Weight: 394.13200000000006
TPSA？: 37.53
MolLogP？: 3.701640000000002
Number of H-Donors: 1
Number of H-Acceptors: 4
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | CC50 | 200.0 | ug.mL-1 | 10.1021/jm9507901 |
| Cytomegalovirus | Cytomegalovirus | MIC | 10.0 | ug.mL-1 | 10.1021/jm9507901 |
| Homo sapiens | CCRF-CEM | CC50 | 17.0 | ug.mL-1 | 10.1021/jm9507901 |
| Homo sapiens | E6SM | CC50 | 100.0 | ug.mL-1 | 10.1021/jm9507901 |
| Homo sapiens | HEL | MCC | 70.0 | ug.mL-1 | 10.1021/jm9507901 |
| Homo sapiens | HeLa | CC50 | 200.0 | ug.mL-1 | 10.1021/jm9507901 |
| Human alphaherpesvirus 3 | Human alphaherpesvirus 3 | MIC | 10.0 | ug.mL-1 | 10.1021/jm9507901 |
| Human alphaherpesvirus 3 | Human alphaherpesvirus 3 | MIC | 40.0 | ug.mL-1 | 10.1021/jm9507901 |