Compound Detail
CHEMBL56653
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Basic Information
| ChEMBL ID | CHEMBL56653 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQEQNVRDAVMDJB-QGZVFWFLSA-N |
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
357.3
MW (Da)
4.11
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.2
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL3952 | IC50 | 8.2 | 8.18 | 6.3 | 2 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| Ke | 14.9 | nM | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | IC50 | = | 6.3 | nM | 8.2 | Compound was evaluated for the Opioid receptor kappa 1 affinity using guinea pig... | 1846918 |
| Kappa-type opioid receptor | IC50 | = | 6.9 | nM | 8.16 | Binding affinity against opioid receptor kappa, in guinea pig brain membrane, us... | 1659636 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1659636 | 10.1021/jm00115a001 | Kappa-type opioid receptor | 3 |
| 1846918 | 10.1021/jm00105a027 | Mus musculus | 3 |
| 1659636 | 10.1021/jm00115a001 | Mus musculus | 2 |
| - | 10.1016/S0960-894X(01)80179-7 | Mus musculus | 2 |
| 10841799 | 10.1021/jm990968+ | Mus musculus | 1 |
| 1846918 | 10.1021/jm00105a027 | Kappa-type opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine