Compound Detail
CHEMBL4288259
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O=C(O)c1ccc(N2CC3(CCN(Cc4cc(C(F)(F)F)c(Cl)cc4C4CC4)CC3)CC2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL4288259 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZWSMKWCCXXBHEW-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
506.9
MW (Da)
5.95
ALogP
3
HBA
1
HBD
60.9
PSA (Ų)
0.54
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 5 CHEMBL1792 | IC50 | 7.72 | 7.575 | 19.0 | 2 |
| Somatostatin receptor type 5 CHEMBL2733 | IC50 | 6.53 | 6.53 | 298.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 5 | IC50 | = | 19.0 | nM | 7.72 | Displacement of [3-125I-Tyr11]-SRIF-14 or [3-125I-Tyr11]-SRIF-28 from human SSR5... | 30429950 |
| Somatostatin receptor type 5 | IC50 | = | 37.0 | nM | 7.43 | Antagonist activity at human SSR5 expressed in CHOK1 cells assessed as inhibitio... | 30429950 |
| Somatostatin receptor type 5 | IC50 | = | 298.0 | nM | 6.53 | Antagonist activity at mouse SSR5 expressed in CHOK1 cells assessed as inhibitio... | 30429950 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30429950 | 10.1021/acsmedchemlett.8b00306 | Somatostatin receptor type 5 | 6 |
| 30429950 | 10.1021/acsmedchemlett.8b00306 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine