Compound Detail
CHEMBL251493
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Basic Information
| ChEMBL ID | CHEMBL251493 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VOZHPGWGKPWOGA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
230.3
MW (Da)
4.36
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 5.57 | 5.57 | 2700.0 | 1 |
| Neutrophil CHEMBL613710 | IC50 | 4.54 | 4.54 | 29000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 2700.0 | nM | 5.57 | Antiproliferative activity against human HL60 cells | 18052030 |
| Neutrophil | IC50 | = | 29000.0 | nM | 4.54 | Inhibition of superoxide production in human neutrophils | 18052030 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18052030 | 10.1021/np070436t | Neutrophil | 1 |
| 18052030 | 10.1021/np070436t | HL-60 | 1 |
| 21348445 | 10.1021/np1008009 | SF-268 | 1 |
| 21348445 | 10.1021/np1008009 | MCF7 | 1 |
| 21348445 | 10.1021/np1008009 | NCI-H460 | 1 |
| 21348445 | 10.1021/np1008009 | HT-29 | 1 |
| 21348445 | 10.1021/np1008009 | CHO-K1 | 1 |
Data from ChEMBL 36 via Core Engine