Compound Detail
CHEMBL461000
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Basic Information
| ChEMBL ID | CHEMBL461000 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NBJKKLYWWGHMLD-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
211.3
MW (Da)
3.60
ALogP
4
HBA
0
HBD
12.9
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Feline immunodeficiency virus CHEMBL613744 | EC50 | 7.64 | 7.64 | 23.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Feline immunodeficiency virus | EC50 | = | 23.0 | nM | 7.64 | Antiviral activity against Feline immunodeficiency virus | 31330449 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19036587 | 10.1016/j.bmcl.2008.11.010 | Staphylococcus aureus | 3 |
| 19036587 | 10.1016/j.bmcl.2008.11.010 | Bacillus cereus | 3 |
| 19036587 | 10.1016/j.bmcl.2008.11.010 | MDA-MB-231 | 2 |
| 19036587 | 10.1016/j.bmcl.2008.11.010 | Escherichia coli | 1 |
| 19036587 | 10.1016/j.bmcl.2008.11.010 | Pseudomonas aeruginosa | 1 |
| 19036587 | 10.1016/j.bmcl.2008.11.010 | Klebsiella pneumoniae | 1 |
| 19036587 | 10.1016/j.bmcl.2008.11.010 | Salmonella enterica subsp. enterica serovar Typhi str. CT18 | 1 |
| 19036587 | 10.1016/j.bmcl.2008.11.010 | Enterococcus faecalis | 1 |
| 19036587 | 10.1016/j.bmcl.2008.11.010 | Listeria innocua | 1 |
| 19036587 | 10.1016/j.bmcl.2008.11.010 | Candida albicans | 1 |
| 19036587 | 10.1016/j.bmcl.2008.11.010 | Nakaseomyces glabratus | 1 |
| 19036587 | 10.1016/j.bmcl.2008.11.010 | Candida tropicalis | 1 |
| 19036587 | 10.1016/j.bmcl.2008.11.010 | Pichia kudriavzevii | 1 |
| 19036587 | 10.1016/j.bmcl.2008.11.010 | MCF7 | 1 |
| 31330449 | 10.1016/j.ejmech.2019.07.043 | Feline immunodeficiency virus | 1 |
Data from ChEMBL 36 via Core Engine