Compound Detail
CHEMBL4288334
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1cc(-c2ccc(Cl)cc2Cl)c(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)cc1C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL4288334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NSTBZGRGMVTWSK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
593.4
MW (Da)
7.68
ALogP
4
HBA
1
HBD
70.1
PSA (Ų)
0.33
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 5 CHEMBL1792 | IC50 | 8.62 | 8.555 | 2.4 | 2 |
| Somatostatin receptor type 5 CHEMBL2733 | IC50 | 6.76 | 6.76 | 174.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 5 | IC50 | = | 2.4 | nM | 8.62 | Displacement of [3-125I-Tyr11]-SRIF-14 or [3-125I-Tyr11]-SRIF-28 from human SSR5... | 30429950 |
| Somatostatin receptor type 5 | IC50 | = | 3.2 | nM | 8.49 | Antagonist activity at human SSR5 expressed in CHOK1 cells assessed as inhibitio... | 30429950 |
| Somatostatin receptor type 5 | IC50 | = | 174.0 | nM | 6.76 | 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