Compound Detail
CHEMBL24313
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O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]cnc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL24313 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COFMXAMZFBQDCV-PEEQTCMYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
663.7
MW (Da)
4.89
ALogP
6
HBA
6
HBD
190.6
PSA (Ų)
0.13
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.28
IC50 1 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | Ki | 8.28 | 8.28 | 5.2 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | Ki | 5.83 | 5.83 | 1479.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 5.248 | nM | 8.28 | Evaluated for Cholecystokinin type B receptor antagonistic activity in which 20 ... | - |
| Gastrin/cholecystokinin type B receptor | Ki | = | 5.248 | nM | 8.28 | In vitro inhibitory activity against Cholecystokinin type B receptor using [125I... | 8627604 |
| Cholecystokinin receptor type A | Ki | = | 1479.11 | nM | 5.83 | In vitro inhibitory activity against Cholecystokinin type A receptor using [125I... | 8627604 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8627604 | 10.1021/jm9508907 | Gastrin/cholecystokinin type B receptor | 3 |
| - | 10.1016/S0960-894X(97)00211-4 | Gastrin/cholecystokinin type B receptor | 2 |
| 8627604 | 10.1021/jm9508907 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine