Compound Detail
CHEMBL119320
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Basic Information
| ChEMBL ID | CHEMBL119320 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QEHTYBCDRGQJGN-PLNGDYQASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
3.59
ALogP
4
HBA
1
HBD
47.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 20000.0 | nM | 4.7 | In vitro inhibitory concentration against proliferation of HL60 cells | 12877593 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12877593 | 10.1021/jm030785u | HL-60 | 2 |
| - | 10.1007/s00044-009-9236-2 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine