Compound Detail
CHEMBL140984
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Basic Information
| ChEMBL ID | CHEMBL140984 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BZBKMUBYKZFQOT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
393.4
MW (Da)
3.48
ALogP
4
HBA
2
HBD
70.6
PSA (Ų)
0.71
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Opioid receptor CHEMBL2094129 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Opioid receptor | IC50 | = | 7500.0 | nM | 5.12 | Evaluated for its concentration required for displacement of [3H]-Naloxone from ... | 2153212 |
| Cholecystokinin receptor type A | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of binding of [125I]CCK-8 to Cholecystokinin type A receptor in rat p... | 2153212 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of binding of [125I]CCK-8 to Cholecystokinin type B receptor in guine... | 2153212 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2153212 | 10.1021/jm00163a069 | Cholecystokinin receptor type A | 1 |
| 2153212 | 10.1021/jm00163a069 | Gastrin/cholecystokinin type B receptor | 1 |
| 2153212 | 10.1021/jm00163a069 | Opioid receptor | 1 |
Data from ChEMBL 36 via Core Engine