Compound Detail
CHEMBL420658
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
Cc1cccc(NC(=O)N[C@H](CCC(=O)N2CCCC2)C(=O)N2CCC(C(=O)c3ccccc3)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL420658 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HRFMJPIGMOWHLL-RUZDIDTESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
504.6
MW (Da)
4.01
ALogP
4
HBA
2
HBD
98.8
PSA (Ų)
0.53
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| NCI-H345 CHEMBL614195 | IC50 | 6.6 | 6.6 | 251.0 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 53.0 | nM | 7.28 | Inhibitory activity towards binding of [125I]Bolton-Hunter-CCK-8 to CCKB recepto... | - |
| NCI-H345 | IC50 | = | 251.0 | nM | 6.6 | Ability to block CCK-8-induced calcium mobilization in NCI-H345 cells | - |
| Cholecystokinin receptor type A | IC50 | = | 1900.0 | nM | 5.72 | Inhibitory activity towards binding of [125I]Bolton-Hunter-CCK-8 to CCKA recepto... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00537-3 | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/0960-894X(95)00537-3 | Cholecystokinin receptor type A | 1 |
| - | 10.1016/0960-894X(95)00537-3 | NCI-H345 | 1 |
| - | 10.1016/0960-894X(95)00537-3 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine