Compound Detail
CHEMBL3818410
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Basic Information
| ChEMBL ID | CHEMBL3818410 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PSAAJCUJOJAQJZ-UHFFFAOYSA-N |
4
Targets
6
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
299.8
MW (Da)
3.00
ALogP
2
HBA
1
HBD
40.5
PSA (Ų)
0.95
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 7.64 | 6.8167 | 23.0 | 3 |
| AGS CHEMBL613860 | IC50 | 7.28 | 7.28 | 53.0 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 6.1 | 6.1 | 800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 22.0 | nM | 7.66 | Displacement of [125]I-CCK-8 from CCK-B receptor in guinea pig cerebral cortex a... | - |
| NON-PROTEIN TARGET | IC50 | = | 23.0 | nM | 7.64 | Antiproliferative activity against human U373MG cells assessed as reduction in c... | - |
| AGS | IC50 | = | 53.0 | nM | 7.28 | Antiproliferative activity against human AGS cells assessed as reduction in cell... | - |
| NON-PROTEIN TARGET | IC50 | = | 230.0 | nM | 6.64 | Antiproliferative activity against human MiaPaCa cells assessed as reduction in ... | - |
| NON-PROTEIN TARGET | IC50 | = | 674.0 | nM | 6.17 | Antiproliferative activity against human PANC cells assessed as reduction in cel... | - |
| Cholecystokinin receptor type A | IC50 | = | 800.0 | nM | 6.1 | Displacement of [125]I-CCK-8 from CCK-A receptor in rat pancreatic membrane afte... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1039/C6MD00052E | NON-PROTEIN TARGET | 3 |
| - | 10.1039/C6MD00052E | Unchecked | 1 |
| - | 10.1039/C6MD00052E | Cholecystokinin receptor type A | 1 |
| - | 10.1039/C6MD00052E | AGS | 1 |
| - | 10.1039/C6MD00052E | MAC13 | 1 |
| - | 10.1039/C6MD00052E | MAC16 | 1 |
Data from ChEMBL 36 via Core Engine