Compound Detail
CHEMBL349640
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Basic Information
| ChEMBL ID | CHEMBL349640 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XSQBIXXTFRQBGB-OAQYLSRUSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
429.6
MW (Da)
4.34
ALogP
3
HBA
3
HBD
102.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL3501 | IC50 | 6.58 | 5.54 | 260.0 | 2 |
| Cavia porcellus CHEMBL369 | IC50 | 6.08 | 6.08 | 830.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 260.0 | nM | 6.58 | Compound was evaluated for the binding affinity against Cholecystokinin type A r... | 2704023 |
| Cavia porcellus | IC50 | = | 830.0 | nM | 6.08 | Compound was evaluated for the ability to inhibit CCK-stimulated amylase release... | 2704023 |
| Cholecystokinin receptor type A | IC50 | = | 32000.0 | nM | 4.5 | Compound was evaluated for the binding affinity against Cholecystokinin type A r... | 2704023 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 2704023 | 10.1021/jm00124a003 | Cholecystokinin receptor type A | 2 |
| 2704023 | 10.1021/jm00124a003 | Cavia porcellus | 1 |
Data from ChEMBL 36 via Core Engine