Compound Detail
CHEMBL116001
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CC(C)(C)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CCCN2C(=O)N(Cc3ccccc3)C(=O)C[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL116001 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JRSRZYFBWXHHNX-NXCFDTQHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
559.7
MW (Da)
4.11
ALogP
5
HBA
3
HBD
123.8
PSA (Ų)
0.40
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.53
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cholecystokinin receptor type A CHEMBL2871 | Ki | 6.53 | 6.53 | 298.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cholecystokinin receptor type A | Ki | = | 298.0 | nM | 6.53 | Inhibition of [3H]pCCK-8 specific binding to Cholecystokinin type A receptor of ... | 9341915 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9341915 | 10.1021/jm9703247 | Cholecystokinin receptor type A | 1 |
| 9341915 | 10.1021/jm9703247 | Gastrin/cholecystokinin type B receptor | 1 |
| 9341915 | 10.1021/jm9703247 | Cholecystokinin receptor | 1 |
Data from ChEMBL 36 via Core Engine