Compound Detail
CHEMBL1806603
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Basic Information
| ChEMBL ID | CHEMBL1806603 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQNMRPQZEIOHMS-BQYQJAHWSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
246.3
MW (Da)
3.20
ALogP
2
HBA
1
HBD
54.4
PSA (Ų)
0.64
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 5.87 | 5.87 | 1360.0 | 1 |
| HeLa CHEMBL399 | IC50 | 5.31 | 5.31 | 4890.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.23 | 5.23 | 5940.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 1360.0 | nM | 5.87 | Antiproliferative activity against human K562 cells assessed as inhibition of ce... | 21570747 |
| HeLa | IC50 | = | 4890.0 | nM | 5.31 | Antiproliferative activity against human HeLa cells assessed as inhibition of ce... | 21570747 |
| NON-PROTEIN TARGET | IC50 | = | 5940.0 | nM | 5.23 | Antiproliferative activity against human LS 174T cells assessed as inhibition of... | 21570747 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21570747 | 10.1016/j.ejmech.2011.04.043 | HeLa | 1 |
| 21570747 | 10.1016/j.ejmech.2011.04.043 | NON-PROTEIN TARGET | 1 |
| 21570747 | 10.1016/j.ejmech.2011.04.043 | K562 | 1 |
Data from ChEMBL 36 via Core Engine