Compound Detail
CHEMBL1455427
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Basic Information
| ChEMBL ID | CHEMBL1455427 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTLNASAGAXVLAB-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
401.4
MW (Da)
5.47
ALogP
6
HBA
0
HBD
69.4
PSA (Ų)
0.23
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.98
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | IC50 | 4.98 | 4.98 | 10500.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.8 | 4.8 | 15665.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 10500.0 | nM | 4.98 | PUBCHEM_BIOASSAY: uHTS identification of small molecule antagonists of the kappa... | - |
| Unchecked | IC50 | = | 15665.0 | nM | 4.8 | PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for small molecule mod... | - |
Data from ChEMBL 36 via Core Engine