Compound Detail
CHEMBL481891
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Basic Information
| ChEMBL ID | CHEMBL481891 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TVIUKZPKDFNHDW-GQCTYLIASA-N |
5
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
220.2
MW (Da)
1.84
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.35
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.06
EC50 1 meas. best 4.63
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BeWo CHEMBL614525 | IC50 | 5.06 | 5.06 | 8640.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.94 | 4.495 | 11500.0 | 2 |
| Amyloid-beta precursor protein CHEMBL2487 | EC50 | 4.63 | 4.63 | 23200.0 | 1 |
| SiHa CHEMBL612542 | IC50 | 4.51 | 4.51 | 30720.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.17 | 4.17 | 67220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BeWo | IC50 | = | 8640.0 | nM | 5.06 | Antitumor activity against human Bewo cells assessed as inhibition of cell growt... | 25160837 |
| NON-PROTEIN TARGET | IC50 | = | 11500.0 | nM | 4.94 | Antitumor activity against human HL60 cells assessed as inhibition of cell growt... | 25160837 |
| Amyloid-beta precursor protein | EC50 | = | 23200.0 | nM | 4.63 | Inhibition of QD-labeled amyloid beta (1 to 42) (unknown origin) aggregation aft... | 28759879 |
| SiHa | IC50 | = | 30720.0 | nM | 4.51 | Antitumor activity against human SiHa cells assessed as inhibition of cell growt... | 25160837 |
| HeLa | IC50 | = | 67220.0 | nM | 4.17 | Antitumor activity against human HeLa cells assessed as inhibition of cell growt... | 25160837 |
| NON-PROTEIN TARGET | IC50 | = | 89170.0 | nM | 4.05 | Antitumor activity against human SGC7901 cells assessed as inhibition of cell gr... | 25160837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25160837 | 10.1016/j.bmcl.2014.08.024 | NON-PROTEIN TARGET | 2 |
| 28759879 | 10.1016/j.ejmech.2017.07.026 | Unchecked | 2 |
| 28759879 | 10.1016/j.ejmech.2017.07.026 | No relevant target | 2 |
| 18952420 | 10.1016/j.bmcl.2008.10.046 | Human immunodeficiency virus type 1 integrase | 1 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | BeWo | 1 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | HeLa | 1 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | SiHa | 1 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | HepG2 | 1 |
| 28759879 | 10.1016/j.ejmech.2017.07.026 | Amyloid-beta precursor protein | 1 |
Data from ChEMBL 36 via Core Engine