Compound Detail
CHEMBL280248
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O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3[nH]ccc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1
Basic Information
| ChEMBL ID | CHEMBL280248 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VCCUORNBSLECNP-FGLZHOHTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
662.7
MW (Da)
5.49
ALogP
5
HBA
6
HBD
177.7
PSA (Ų)
0.12
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | Ki | 7.87 | 7.87 | 13.5 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | Ki | 5.47 | 5.47 | 3388.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 13.49 | nM | 7.87 | In vitro inhibitory activity against Cholecystokinin type B receptor using [125I... | 8627604 |
| Cholecystokinin receptor type A | Ki | = | 3388.44 | nM | 5.47 | In vitro inhibitory activity against Cholecystokinin type A receptor using [125I... | 8627604 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11312913 | 10.1021/jm0010668 | Gastrin/cholecystokinin type B receptor | 2 |
| 11312913 | 10.1021/jm0010668 | Mus musculus | 1 |
| 8627604 | 10.1021/jm9508907 | Gastrin/cholecystokinin type B receptor | 1 |
| 8627604 | 10.1021/jm9508907 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine