Compound Detail
CHEMBL1811974
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Basic Information
| ChEMBL ID | CHEMBL1811974 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VQNBNCTXKXADOD-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
364.8
MW (Da)
5.80
ALogP
4
HBA
1
HBD
43.4
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.27
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 5.27 | 5.255 | 5400.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 5400.0 | nM | 5.27 | Antiproliferative activity against human K562 cells after 48 hrs by MTT assay | 21576023 |
| K562 | IC50 | = | 5800.0 | nM | 5.24 | Cytotoxicity against human K562 cells after 48 hrs by MTT assay | 26707846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21576023 | 10.1016/j.bmc.2011.04.053 | K562 | 1 |
| 21576023 | 10.1016/j.bmc.2011.04.053 | HepG2 | 1 |
| 21576023 | 10.1016/j.bmc.2011.04.053 | MCF7 | 1 |
| 26707846 | 10.1016/j.bmc.2015.12.011 | K562 | 1 |
| 26707846 | 10.1016/j.bmc.2015.12.011 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine