caboxamycin
AlkaPlorer ID: AK032946
Synonym: 'Caboxamycin'
IUPAC Name: 2-(2-hydroxyphenyl)-1,3-benzoxazole-4-carboxylic acid
Structure
SMILES: O=C(O)C1=CC=CC2=C1N=C(C1=CC=CC=C1O)O2
InChI: InChI=1S/C14H9NO4/c16-10-6-2-1-4-8(10)13-15-12-9(14(17)18)5-3-7-11(12)19-13/h1-7,16H,(H,17,18)
InChIKey: CRLJZJZGYIYVSO-UHFFFAOYSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| None | None | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 255.229
TPSA？: 83.56
MolLogP？: 2.8986000000000014
Number of H-Donors: 2
Number of H-Acceptors: 4
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Hepacivirus hominis | Hepatitis C virus | EC50 | 530.0 | nM | 10.1016/j.bmcl.2013.12.012 |
| Hepacivirus hominis | Hepatitis C virus | EC50 | 4900.0 | nM | 10.1016/j.bmcl.2016.01.035 |
| Human immunodeficiency virus 1 | Human immunodeficiency virus 1 | Activity | nan | None | 10.1016/j.bmcl.2013.12.012 |
| None | ADMET | CC50 | 3500.0 | nM | 10.1016/j.bmcl.2013.12.012 |
| None | ADMET | CC50 | 25000.0 | nM | 10.1016/j.bmcl.2016.01.035 |
| None | No relevant target | Kd | 500.0 | nM | 10.1016/j.bmcl.2016.01.035 |
| None | Unchecked | IC50 | 700000.0 | nM | 10.1016/j.bmcl.2013.12.012 |
| None | Unchecked | IC50 | 1200000.0 | nM | 10.1016/j.bmcl.2013.12.012 |
| None | Unchecked | IC50 | 1800000.0 | nM | 10.1016/j.bmcl.2013.12.012 |
| None | Unchecked | Inhibition | 30.0 | % | 10.1016/j.bmcl.2013.12.012 |
| None | Unchecked | Ratio CC50/EC50 | 5.1 | None | 10.1016/j.bmcl.2016.01.035 |
| None | Unchecked | Ratio CC50/EC50 | 6.6 | None | 10.1016/j.bmcl.2013.12.012 |