Compound Detail
CHEMBL4293458
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CC(C)n1cc(CN2CCC3(CC2)CN(c2ccc(C(=O)O)cc2)C(=O)O3)c2c(-c3ccc(F)c(F)c3F)cccc21
Basic Information
| ChEMBL ID | CHEMBL4293458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AIUHLNFYFFLWQE-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
577.6
MW (Da)
7.00
ALogP
5
HBA
1
HBD
75.0
PSA (Ų)
0.25
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 9.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 5 CHEMBL1792 | IC50 | 9.7 | 9.5 | 0.2 | 2 |
| Somatostatin receptor type 5 CHEMBL2733 | IC50 | 9.0 | 9.0 | 1.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 5 | IC50 | = | 0.2 | nM | 9.7 | Displacement of [3-125I-Tyr11]-SRIF-14 or [3-125I-Tyr11]-SRIF-28 from human SSR5... | 30429950 |
| Somatostatin receptor type 5 | IC50 | = | 0.5 | nM | 9.3 | Antagonist activity at human SSR5 expressed in CHOK1 cells assessed as inhibitio... | 30429950 |
| Somatostatin receptor type 5 | IC50 | = | 1.0 | nM | 9.0 | 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