Compound Detail
CHEMBL102526
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Cc1cccc(NC(=O)N[C@H](CCC(=O)OCc2ccccc2)C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1
Basic Information
| ChEMBL ID | CHEMBL102526 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CMUWMWYXXQZCFH-MUUNZHRXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
556.7
MW (Da)
4.89
ALogP
5
HBA
3
HBD
116.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL3501 | IC50 | 6.16 | 6.16 | 690.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 690.0 | nM | 6.16 | Inhibitory activity towards binding of [125I]Bolton-Hunter-CCK-8 to CCKA recepto... | - |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 2000.0 | nM | 5.7 | Inhibitory activity towards binding of [125I]Bolton-Hunter-CCK-8 to CCKB recepto... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(95)00537-3 | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/0960-894X(95)00537-3 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine