Compound Detail
CHEMBL3753940
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Basic Information
| ChEMBL ID | CHEMBL3753940 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XIKGRPKDQDFXLF-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
182.2
MW (Da)
1.22
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.79 | 4.79 | 16400.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.22 | 4.22 | 60100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 16400.0 | nM | 4.79 | Inhibition of serum-opsonized zymosan-induced oxidative burst in whole blood (un... | 26711890 |
| NON-PROTEIN TARGET | IC50 | = | 60100.0 | nM | 4.22 | Cytotoxicity against human PC3 cells after 3 days by MTT assay | 26711890 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26711890 | 10.1016/j.bmcl.2015.12.028 | NON-PROTEIN TARGET | 2 |
| 26711890 | 10.1016/j.bmcl.2015.12.028 | Unchecked | 1 |
| 26711890 | 10.1016/j.bmcl.2015.12.028 | Bacillus subtilis | 1 |
| 26711890 | 10.1016/j.bmcl.2015.12.028 | Staphylococcus aureus | 1 |
| 26711890 | 10.1016/j.bmcl.2015.12.028 | Escherichia coli | 1 |
| 26711890 | 10.1016/j.bmcl.2015.12.028 | Rhizomucor miehei | 1 |
| 26711890 | 10.1016/j.bmcl.2015.12.028 | Candida albicans | 1 |
| 26711890 | 10.1016/j.bmcl.2015.12.028 | Globisporangium ultimum | 1 |
| 26711890 | 10.1016/j.bmcl.2015.12.028 | Rhizoctonia solani | 1 |
Data from ChEMBL 36 via Core Engine