Compound Detail
CHEMBL176195
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Basic Information
| ChEMBL ID | CHEMBL176195 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LHOGRUJWGHYBHY-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
367.4
MW (Da)
4.16
ALogP
6
HBA
1
HBD
70.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HL-60 CHEMBL383 | IC50 | 6.52 | 6.52 | 300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HL-60 | IC50 | = | 300.0 | nM | 6.52 | Inhibitory concentration to inhibit cell growth 50% was determined in HL60 cells | 15689156 |
| HL-60 | IC50 | = | 300.0 | nM | 6.52 | Antiproliferation activity against human HL-60 cells assessed as reduction in ce... | 35339837 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15689156 | 10.1021/jm049622b | HL-60 | 2 |
| 35339837 | 10.1016/j.ejmech.2022.114271 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine