Compound Detail
CHEMBL315055
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C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC1C2CC3CC(C2)CC1C3)C(=O)NC[C@@H](NC(=O)CP(=O)(O)O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL315055 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UFPWVIGWXJVEAI-RNXDMLAYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
636.7
MW (Da)
4.17
ALogP
5
HBA
6
HBD
169.8
PSA (Ų)
0.17
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | IC50 | 7.57 | 7.57 | 27.0 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 5.28 | 5.28 | 5200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 27.0 | nM | 7.57 | Evaluated for inhibition of cholecystokinin type B receptor by displacing [125I]... | 1635058 |
| Cholecystokinin receptor type A | IC50 | = | 5200.0 | nM | 5.28 | Evaluated for inhibition of cholecystokinin type A receptor by displacing [125I]... | 1635058 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1635058 | 10.1021/jm00092a007 | No relevant target | 2 |
| 1635058 | 10.1021/jm00092a007 | Gastrin/cholecystokinin type B receptor | 1 |
| 1635058 | 10.1021/jm00092a007 | Cholecystokinin receptor type A | 1 |
| 1635058 | 10.1021/jm00092a007 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine