Compound Detail
CHEMBL278780
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
O=C(CC(Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NCCc1ccccc1)NCCCCNC(=O)Nc1ccccc1Cl
Basic Information
| ChEMBL ID | CHEMBL278780 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MCGQZPBZSRMELE-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
767.4
MW (Da)
7.12
ALogP
5
HBA
6
HBD
153.4
PSA (Ų)
0.07
QED
3
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 7.12
EC50 1 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 7.12 | 6.97 | 75.0 | 2 |
| Rattus norvegicus CHEMBL376 | EC50 | 6.32 | 6.32 | 480.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | IC50 | 5.44 | 5.095 | 3600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 75.0 | nM | 7.12 | Inhibition of [125I]- Bolton-Hunter CCK-26-33 binding to Cholecystokinin type A ... | - |
| Cholecystokinin receptor type A | IC50 | = | 150.0 | nM | 6.82 | Compound was evaluated for the binding affinity towards rat pancreatic Cholecyst... | 10866391 |
| Rattus norvegicus | EC50 | = | 480.0 | nM | 6.32 | Compound was evaluated for the inhibition of amylase secretion in isolated rat p... | 10866391 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 3600.0 | nM | 5.44 | Binding affinity towards Cholecystokinin type B receptor in mouse cortex membran... | 10866391 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 18000.0 | nM | 4.75 | Inhibition of [125I]- Bolton-Hunter CCK-26-33 binding to Cholecystokinin type B ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10866391 | 10.1016/s0960-894x(00)00198-0 | Cholecystokinin receptor type A | 1 |
| 10866391 | 10.1016/s0960-894x(00)00198-0 | Gastrin/cholecystokinin type B receptor | 1 |
| 10866391 | 10.1016/s0960-894x(00)00198-0 | Rattus norvegicus | 1 |
| 10866391 | 10.1016/s0960-894x(00)00198-0 | Jurkat | 1 |
| - | 10.1016/S0960-894X(00)80687-3 | Cholecystokinin receptor type A | 1 |
| - | 10.1016/S0960-894X(00)80687-3 | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/S0960-894X(00)80687-3 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine