Compound Detail
CHEMBL1907730
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CCOC(=O)CN1C(=O)[C@@H](Cc2c[nH]c3ccccc23)N=C(c2ccccc2F)c2ccccc21
Basic Information
| ChEMBL ID | CHEMBL1907730 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTOOAJLSWCKDBD-XMMPIXPASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
469.5
MW (Da)
4.67
ALogP
4
HBA
1
HBD
74.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor CHEMBL2096986 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 4.6 | 4.6 | 25000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor | IC50 | = | 8300.0 | nM | 5.08 | Half-maximal inhibition of [125I]-CCK-33 binding to rat pancreas cholecystokinin... | 2885419 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 25000.0 | nM | 4.6 | Half-maximal inhibition of binding of [125I]gastrin to guinea pig gastric glands | 2885419 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2885419 | 10.1021/jm00390a019 | Cholecystokinin receptor | 1 |
| 2885419 | 10.1021/jm00390a019 | Cholecystokinin receptor type A | 1 |
| 2885419 | 10.1021/jm00390a019 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine