Compound Detail
CHEMBL73090
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Basic Information
| ChEMBL ID | CHEMBL73090 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZRDCNUALRUCCPA-DHZHZOJOSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.60
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.61
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HCT-116 CHEMBL394 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 4.86 | 4.86 | 13700.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 4.26 | 4.26 | 55500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HCT-116 | IC50 | = | 4400.0 | nM | 5.36 | Antiproliferative activity against human HCT116 cells | 17804245 |
| ADMET | IC50 | = | 13700.0 | nM | 4.86 | Antiproliferative activity against human CCL186 cells | 17804245 |
| Plasmodium falciparum | IC50 | = | 55500.0 | nM | 4.26 | Growth inhibition of chloroquine-resistant Plasmodium falciparum K1 by [3H]hypox... | 12161120 |
| Plasmodium falciparum | IC50 | = | 55500.0 | nM | 4.26 | Inhibition of [3H]hypoxanthine incorporation in Plasmodium falciparum K1 | 11728189 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17804245 | 10.1016/j.bmc.2007.07.042 | HCT-116 | 2 |
| 21349727 | 10.1016/j.bmc.2011.01.048 | Caenorhabditis elegans | 2 |
| 21539383 | 10.1021/jm2002348 | Nuclear factor erythroid 2-related factor 2 | 2 |
| 12161120 | 10.1016/s0960-894x(02)00430-4 | Plasmodium falciparum | 1 |
| 11728189 | 10.1021/jm0101747 | Plasmodium falciparum | 1 |
| 17804245 | 10.1016/j.bmc.2007.07.042 | ADMET | 1 |
| 17804245 | 10.1016/j.bmc.2007.07.042 | MCF7 | 1 |
| 18031869 | 10.1016/j.ejmech.2007.10.007 | Staphylococcus aureus | 1 |
| 18031869 | 10.1016/j.ejmech.2007.10.007 | ADMET | 1 |
| 18031869 | 10.1016/j.ejmech.2007.10.007 | Escherichia coli | 1 |
| 22310230 | 10.1016/j.bmcl.2011.12.141 | Androgen receptor | 1 |
Data from ChEMBL 36 via Core Engine