None
AlkaPlorer ID: AK323691
Synonym: None
IUPAC Name: (2R)-2,4-dihydroxy-3,3-dimethyl-N-[[1-[2-[[2-[(2R)-2-methyl-2-[(1E)-2-methylbuta-1,3-dienyl]-5-oxothiophen-3-yl]oxyacetyl]amino]ethyl]triazol-4-yl]methyl]butanamide
Structure
SMILES: C=C/C(C)=C/[C@@]1(C)SC(=O)C=C1OCC(O)=NCCN1C=C(CN=C(O)[C@H](O)C(C)(C)CO)N=N1
InChI: InChI=1S/C23H33N5O6S/c1-6-15(2)10-23(5)17(9-19(31)35-23)34-13-18(30)24-7-8-28-12-16(26-27-28)11-25-21(33)20(32)22(3,4)14-29/h6,9-10,12,20,29,32H,1,7-8,11,13-14H2,2-5H3,(H,24,30)(H,25,33)/b15-10+/t20-,23+/m0/s1
InChIKey: ZTNXSGFKCVTJGQ-IJFHWRKKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 507.6130000000003
TPSA？: 162.64999999999998
MolLogP？: 2.1354
Number of H-Donors: 4
Number of H-Acceptors: 10
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Francisella tularensis | Francisella tularensis | MIC90 | 159.0 | ug.mL-1 | 10.1021/acs.jmedchem.6b00236 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC90 | 100.0 | ug.mL-1 | 10.1021/acs.jmedchem.6b00236 |
| Staphylococcus aureus | Staphylococcus aureus | MIC90 | 64.0 | ug.mL-1 | 10.1021/acs.jmedchem.6b00236 |
| None | Unchecked | Activity | nan | None | 10.1021/acs.jmedchem.6b00236 |
| None | Unchecked | Ki | 200000.0 | nM | 10.1021/acs.jmedchem.6b00236 |
| None | Unchecked | Ki | nan | None | 10.1021/acs.jmedchem.6b00236 |