Compound Detail
CHEMBL1710618
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1710618 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FHZZAIRIVDIBAH-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
501.6
MW (Da)
5.90
ALogP
3
HBA
3
HBD
62.4
PSA (Ų)
0.27
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.06
EC50 1 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | IC50 | 6.06 | 5.87 | 879.0 | 2 |
| HL-60 CHEMBL383 | EC50 | 4.97 | 4.97 | 10600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 879.0 | nM | 6.06 | PUBCHEM_BIOASSAY: SAR analysis of Antagonists of the Kappa Opioid Receptor (KOR)... | - |
| Kappa-type opioid receptor | IC50 | = | 2090.0 | nM | 5.68 | PUBCHEM_BIOASSAY: SAR analysis of small molecule antagonists of the kappa opioid... | - |
| HL-60 | EC50 | = | 10600.0 | nM | 4.97 | 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