Compound Detail
CHEMBL482317
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Basic Information
| ChEMBL ID | CHEMBL482317 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DZJLZIATUZYNSZ-FNORWQNLSA-N |
8
Targets
9
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
361.4
MW (Da)
3.78
ALogP
6
HBA
2
HBD
109.9
PSA (Ų)
0.28
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BeWo CHEMBL614525 | IC50 | 5.03 | 5.03 | 9310.0 | 1 |
| Human immunodeficiency virus type 1 integrase CHEMBL3471 | IC50 | 4.87 | 4.87 | 13500.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.86 | 4.86 | 13910.0 | 1 |
| Bel-7402 CHEMBL614279 | IC50 | 4.54 | 4.54 | 28700.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.39 | 4.39 | 40700.0 | 1 |
| SiHa CHEMBL612542 | IC50 | 4.29 | 4.29 | 51770.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.28 | 4.28 | 52880.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.28 | 4.28 | 52900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BeWo | IC50 | = | 9310.0 | nM | 5.03 | Antitumor activity against human Bewo cells assessed as inhibition of cell growt... | 25160837 |
| Human immunodeficiency virus type 1 integrase | IC50 | = | 13500.0 | nM | 4.87 | Inhibition of HIV1 integrase by ELISA | 18952420 |
| HeLa | IC50 | = | 13910.0 | nM | 4.86 | Antitumor activity against human HeLa cells assessed as inhibition of cell growt... | 25160837 |
| Bel-7402 | IC50 | = | 28700.0 | nM | 4.54 | Cytotoxicity against human Bel7402 cells by MTT assay | 18952420 |
| MCF7 | IC50 | = | 40700.0 | nM | 4.39 | Cytotoxicity against human MCF7 cells by MTT assay | 18952420 |
| SiHa | IC50 | = | 51770.0 | nM | 4.29 | Antitumor activity against human SiHa cells assessed as inhibition of cell growt... | 25160837 |
| A549 | IC50 | = | 52900.0 | nM | 4.28 | Cytotoxicity against human A549 cells by MTT assay | 18952420 |
| NON-PROTEIN TARGET | IC50 | = | 52880.0 | nM | 4.28 | Antitumor activity against human HL60 cells assessed as inhibition of cell growt... | 25160837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25160837 | 10.1016/j.bmcl.2014.08.024 | NON-PROTEIN TARGET | 2 |
| 18952420 | 10.1016/j.bmcl.2008.10.046 | Human immunodeficiency virus type 1 integrase | 1 |
| 18952420 | 10.1016/j.bmcl.2008.10.046 | Bel-7402 | 1 |
| 18952420 | 10.1016/j.bmcl.2008.10.046 | MCF7 | 1 |
| 18952420 | 10.1016/j.bmcl.2008.10.046 | A549 | 1 |
| 18952420 | 10.1016/j.bmcl.2008.10.046 | NON-PROTEIN TARGET | 1 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | SiHa | 1 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | HeLa | 1 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | BeWo | 1 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine