Compound Detail
CHEMBL68870
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Basic Information
| ChEMBL ID | CHEMBL68870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWJNKNFUNQGDEQ-JOCHJYFZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
415.5
MW (Da)
4.53
ALogP
3
HBA
1
HBD
44.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2094129 | IC50 | 7.3 | 7.3 | 50.0 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor | IC50 | = | 50.0 | nM | 7.3 | Displacement of [3H]dihydromorphine (DHM) from rat brain Opioid receptors | 2153212 |
| Cholecystokinin receptor type A | IC50 | = | 260.0 | nM | 6.58 | Inhibition of binding of [125I]CCK-8 to Cholecystokinin type A receptor in rat p... | 2153212 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2153212 | 10.1021/jm00163a069 | Cholecystokinin receptor type A | 1 |
| 2153212 | 10.1021/jm00163a069 | Opioid receptor | 1 |
| 10841799 | 10.1021/jm990968+ | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine