Compound Detail
CHEMBL333762
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CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O)N(C)C(=O)[C@@H](N)Cc1c[nH]c2ccccc12
Basic Information
| ChEMBL ID | CHEMBL333762 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | NNJYOGTUYISPBK-GKXKVECMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
592.7
MW (Da)
1.23
ALogP
6
HBA
6
HBD
200.7
PSA (Ų)
0.14
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL3501 | Ki | 8.59 | 8.59 | 2.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | Ki | = | 2.6 | nM | 8.59 | Affinity against Cholecystokinin type A receptor on guinea pig pancreatic membra... | 11020275 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11020275 | 10.1021/jm0000416 | Gastrin/cholecystokinin type B receptor | 2 |
| 11020275 | 10.1021/jm0000416 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine