Compound Detail
CHEMBL420783
L-740093 Enter ChEMBL ID:
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Cc1cccc(NC(=O)N[C@@H]2N=C(N3CC4CCC(CC4)C3)c3ccccc3N(C)C2=O)c1
Basic Information
| ChEMBL ID | CHEMBL420783 |
| Name | L-740093 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYERABWMFRRINX-XWEVFREBSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
445.6
MW (Da)
3.99
ALogP
4
HBA
2
HBD
77.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 10.0 | 10.0 | 0.1 | 2 |
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 5.8 | 5.795 | 1600.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 0.1 | nM | 10.0 | Displacement of [125I]-BH CCK-8S from Cholecystokinin type B receptor in guinea ... | - |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 0.1 | nM | 10.0 | Inhibition of ligand binding to Cholecystokinin type B receptor from guinea pig ... | 9258356 |
| Cholecystokinin receptor type A | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of ligand binding to Cholecystokinin type A receptor from rat pancrea... | 9258356 |
| Cholecystokinin receptor type A | IC50 | = | 1604.0 | nM | 5.79 | 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 |
| 9258356 | 10.1021/jm9608523 | Gastrin/cholecystokinin type B receptor | 1 |
| 9258356 | 10.1021/jm9608523 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine