Compound Detail
CHEMBL3350852
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CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=S)N(Cc3ccccc3)C(=S)C[C@H]12
Basic Information
| ChEMBL ID | CHEMBL3350852 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WUSUWRIHKIOQOP-KKUQBAQOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
591.8
MW (Da)
5.07
ALogP
5
HBA
3
HBD
89.7
PSA (Ų)
0.33
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | IC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | IC50 | = | 900.0 | nM | 6.05 | Inhibition of [3H]pCCK-8 binding to cholecystokinin type A receptor of rat pancr... | 11708921 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11708921 | 10.1021/jm010898i | Cholecystokinin receptor type A | 1 |
| 11708921 | 10.1021/jm010898i | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine