Compound Detail
CHEMBL445524
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Basic Information
| ChEMBL ID | CHEMBL445524 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XTXVNAKBSBXFGC-NRFANRHFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
3.92
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.91
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.98 | 5.98 | 1050.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 1050.0 | nM | 5.98 | Cytotoxicity against human HL60 cells after 48 hrs by trypan blue exclusion meth... | 8864242 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8864242 | 10.1021/np960450y | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine