Compound Detail
CHEMBL1973073
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Basic Information
| ChEMBL ID | CHEMBL1973073 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WZDHOIZUFUBGHK-UHFFFAOYSA-N |
4
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
316.3
MW (Da)
1.60
ALogP
7
HBA
4
HBD
124.3
PSA (Ų)
0.40
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 4.94
IC50 2 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.41 | 5.41 | 3930.0 | 1 |
| T-24 CHEMBL614774 | EC50 | 4.94 | 4.775 | 11600.0 | 2 |
| A549 CHEMBL392 | EC50 | 4.79 | 4.79 | 16200.0 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | IC50 | 4.67 | 4.67 | 21400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 3930.0 | nM | 5.41 | Cytotoxicity against human DU145 cells assessed as cell growth inhibition after ... | 27173800 |
| T-24 | EC50 | = | 11600.0 | nM | 4.94 | Phototoxicity against human T24 cells assessed as reduction in cell growth prein... | 37708055 |
| A549 | EC50 | = | 16200.0 | nM | 4.79 | Phototoxicity against human A549 cells assessed as reduction in cell growth prei... | 37708055 |
| Serine/threonine-protein kinase pim-1 | IC50 | = | 21400.0 | nM | 4.67 | Inhibition of recombinant human Pim1 | 27173800 |
| T-24 | EC50 | = | 24700.0 | nM | 4.61 | Phototoxicity against human T24 cells assessed as reduction in cell growth prein... | 37708055 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37708055 | 10.1021/acs.jnatprod.2c01157 | Candida albicans | 4 |
| 37708055 | 10.1021/acs.jnatprod.2c01157 | A549 | 4 |
| 37708055 | 10.1021/acs.jnatprod.2c01157 | T-24 | 4 |
| 37708055 | 10.1021/acs.jnatprod.2c01157 | Staphylococcus aureus | 4 |
| 37708055 | 10.1021/acs.jnatprod.2c01157 | AGS | 3 |
| 27173800 | 10.1016/j.bmcl.2016.04.079 | NON-PROTEIN TARGET | 1 |
| 27173800 | 10.1016/j.bmcl.2016.04.079 | Serine/threonine-protein kinase pim-1 | 1 |
| 37708055 | 10.1021/acs.jnatprod.2c01157 | Escherichia coli | 1 |
Data from ChEMBL 36 via Core Engine