Compound Detail
CHEMBL23472
ICI-204448 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 | CHEMBL23472 |
| Name | ICI-204448 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JKYJSFISYHSNOE-UHFFFAOYSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
465.4
MW (Da)
4.29
ALogP
4
HBA
1
HBD
70.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.13
Ki 1 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Kappa-type opioid receptor CHEMBL237 | Ki | 8.57 | 8.57 | 2.7 | 1 |
| Kappa-type opioid receptor CHEMBL237 | IC50 | 8.13 | 8.13 | 7.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Kappa-type opioid receptor | Ki | = | 2.69 | nM | 8.57 | Displacement of bound [3H]diprenorphine from membranes expressing cloned human k... | 15686919 |
| Kappa-type opioid receptor | IC50 | = | 7.4 | nM | 8.13 | Agonistic activity at kappa opioid receptor of rabbit vas deferens | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15686919 | 10.1016/j.bmcl.2004.12.018 | Mus musculus | 3 |
| - | 10.1016/S0960-894X(00)80229-2 | Mus musculus | 2 |
| - | 10.1016/S0960-894X(00)80229-2 | No relevant target | 1 |
| - | 10.1016/S0960-894X(00)80229-2 | Kappa-type opioid receptor | 1 |
| - | 10.1016/S0960-894X(00)80229-2 | Unchecked | 1 |
| 15686919 | 10.1016/j.bmcl.2004.12.018 | Kappa-type opioid receptor | 1 |
| 15686919 | 10.1016/j.bmcl.2004.12.018 | Opioid receptors; mu & kappa | 1 |
| 15686919 | 10.1016/j.bmcl.2004.12.018 | Opioid receptors; delta & kappa | 1 |
Data from ChEMBL 36 via Core Engine