Compound Detail
CHEMBL133152
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Basic Information
| ChEMBL ID | CHEMBL133152 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YRRGEYIDGKOHAJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
314.3
MW (Da)
4.07
ALogP
4
HBA
1
HBD
67.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 4.09 | 4.09 | 80600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 80600.0 | nM | 4.09 | Tested for inhibition against human promyelocytic leukemia cells (HL-60 ) | 8258835 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8258835 | 10.1021/jm00077a016 | HL-60 | 1 |
| 8258835 | 10.1021/jm00077a016 | N592 | 1 |
| 8258835 | 10.1021/jm00077a016 | NON-PROTEIN TARGET | 1 |
| 8258835 | 10.1021/jm00077a016 | Tumor Cell line | 1 |
| 8258835 | 10.1021/jm00077a016 | DNA topoisomerase 2-beta | 1 |
Data from ChEMBL 36 via Core Engine