Compound Detail
CHEMBL4071534
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Basic Information
| ChEMBL ID | CHEMBL4071534 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKASREWODNCZRQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
362.4
MW (Da)
5.70
ALogP
2
HBA
2
HBD
41.1
PSA (Ų)
0.73
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 4.46 | 4.46 | 34900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 34900.0 | nM | 4.46 | Cytotoxicity against human HL60 cells assessed as reduction in cell viability up... | 28407594 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28407594 | 10.1016/j.ejmech.2017.03.078 | HL-60 | 1 |
| 28407594 | 10.1016/j.ejmech.2017.03.078 | Jurkat | 1 |
| 28407594 | 10.1016/j.ejmech.2017.03.078 | NALM-6 | 1 |
Data from ChEMBL 36 via Core Engine