Compound Detail
CHEMBL1718305
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Basic Information
| ChEMBL ID | CHEMBL1718305 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LAQGRWPEOFXCKF-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
450.8
MW (Da)
4.73
ALogP
3
HBA
3
HBD
62.4
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.93
IC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | IC50 | 5.22 | 5.22 | 6020.0 | 1 |
| HL-60 CHEMBL383 | EC50 | 4.93 | 4.93 | 11700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 6020.0 | nM | 5.22 | PUBCHEM_BIOASSAY: SAR analysis of Antagonists of the Kappa Opioid Receptor (KOR)... | - |
| HL-60 | EC50 | = | 11700.0 | nM | 4.93 | Antiproliferative activity against human HL-60 cells assessed as inhibition of c... | 33246106 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33246106 | 10.1016/j.bmcl.2020.127711 | HL-60 | 1 |
Data from ChEMBL 36 via Core Engine