Compound Detail
CHEMBL355608
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CC(C)C[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N1CC(=O)N[C@H](Cc2ccccc2)C1
Basic Information
| ChEMBL ID | CHEMBL355608 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | BAERKTIXPZLGLW-DPFTZIENSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
623.8
MW (Da)
4.11
ALogP
5
HBA
4
HBD
132.6
PSA (Ų)
0.19
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2798 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL2854 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 14.0 | nM | 7.85 | Concentration producing half-maximal inhibition of specific binding of [125I]- C... | - |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 15000.0 | nM | 4.82 | Concentration producing half-maximal inhibition of specific binding of [125I]- C... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(01)80253-5 | Cholecystokinin receptor type A | 1 |
| - | 10.1016/S0960-894X(01)80253-5 | Gastrin/cholecystokinin type B receptor | 1 |
| - | 10.1016/S0960-894X(01)80253-5 | Cholecystokinin receptor | 1 |
Data from ChEMBL 36 via Core Engine