Compound Detail
CHEMBL333081
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 | CHEMBL333081 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LMUQHXHWJWQXSD-PMACEKPBSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
436.3
MW (Da)
4.85
ALogP
2
HBA
2
HBD
61.4
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | IC50 | 7.72 | 7.72 | 19.0 | 2 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 4.69 | 4.69 | 20500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 19.0 | nM | 7.72 | Half maximal inhibition of specific binding of [125I]Bolton-Hunter CCK-8 to Chol... | 11000005 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 19.0 | nM | 7.72 | The compound was tested for its activity to inhibit the binding of [125I]CCK-8 t... | - |
| Cholecystokinin receptor type A | IC50 | = | 20500.0 | nM | 4.69 | Half maximal inhibition of specific binding of [125I]-Bolton-Hunter CCK-8 to Cho... | 11000005 |
| Cholecystokinin receptor type A | IC50 | = | 20500.0 | nM | 4.69 | The compound was tested for its activity to inhibit the binding of [3H]-L-364,71... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 11000005 | 10.1021/jm000937a | Cholecystokinin receptor type A | 1 |
| 11000005 | 10.1021/jm000937a | Gastrin/cholecystokinin type B receptor | 1 |
| 11000005 | 10.1021/jm000937a | Cholecystokinin receptor | 1 |
| - | 10.1016/S0960-894X(00)80684-8 | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/S0960-894X(00)80684-8 | Cholecystokinin receptor type A | 1 |
| - | 10.21203/rs.3.rs-23951/v1 | SARS-CoV-2 | 1 |
| - | 10.6019/CHEMBL4495564 | Replicase polyprotein 1ab | 1 |
Data from ChEMBL 36 via Core Engine