Compound Detail
CHEMBL1760368
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Basic Information
| ChEMBL ID | CHEMBL1760368 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LOBLQEKYHSNKDZ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
454.5
MW (Da)
6.53
ALogP
5
HBA
2
HBD
66.9
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.91
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.91 | 5.91 | 1235.0 | 1 |
| K562 CHEMBL385 | IC50 | 5.84 | 5.68 | 1440.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 1235.0 | nM | 5.91 | Antiproliferative activity against human KU812 cells | 21376587 |
| K562 | IC50 | = | 1440.0 | nM | 5.84 | Antiproliferative activity against human imatinib-resistant K562 cells | 21376587 |
| K562 | IC50 | = | 3005.0 | nM | 5.52 | Antiproliferative activity against human K562 cells | 21376587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21376587 | 10.1016/j.bmcl.2011.02.029 | K562 | 2 |
| 21376587 | 10.1016/j.bmcl.2011.02.029 | Bcr/Abl fusion protein | 1 |
| 21376587 | 10.1016/j.bmcl.2011.02.029 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine