Compound Detail
CHEMBL103119
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Cc1cccc(NC(=O)N[C@@H]2N=C(c3ccccc3)c3ccccc3N3C[C@H](C)N=C23)c1
Basic Information
| ChEMBL ID | CHEMBL103119 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NCIUZBAYZNZINS-UUOWRZLLSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
423.5
MW (Da)
4.60
ALogP
4
HBA
2
HBD
69.1
PSA (Ų)
0.65
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 8.74 | 8.74 | 1.8 | 1 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 5.81 | 5.81 | 1559.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 1.81 | nM | 8.74 | Displacement of [125I]-BH CCK-8S from Cholecystokinin type B receptor in guinea ... | - |
| Cholecystokinin receptor type A | IC50 | = | 1559.0 | nM | 5.81 | Displacement of [125I]-BH CCK-8S from Cholecystokinin type A receptor in rat pan... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00530-0 | Cholecystokinin receptor type A | 1 |
| - | 10.1016/0960-894X(95)00530-0 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine