Compound Detail
CHEMBL442605
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CC(=O)N[C@@H]1Cc2c([nH]c3ccccc23)CN([C@@H](CCCCN)C(=O)NCCc2ccccc2)C1=O.O=C(O)C(F)(F)F
Basic Information
| ChEMBL ID | CHEMBL442605 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UGHKKZYHWPSEOO-OTTABGKNSA-N |
| Parent Compound | CHEMBL1185941 |
| Active Moiety | CHEMBL1185941 |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
489.6
MW (Da)
2.41
ALogP
4
HBA
4
HBD
120.3
PSA (Ų)
0.33
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 9.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 5 CHEMBL1792 | IC50 | 9.25 | 9.25 | 0.6 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | IC50 | 6.98 | 6.98 | 105.0 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | IC50 | 6.29 | 6.29 | 515.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 5 | IC50 | = | 0.56 | nM | 9.25 | Displacement of [125I]-[Leu8, DTrp22, Tyr25]-somatostatin-28 from human recombin... | 19067538 |
| Somatostatin receptor type 4 | IC50 | = | 7.0 | nM | 8.15 | Displacement of [125I]-[Leu8, DTrp22, Tyr25]-somatostatin-28 from human recombin... | 19067538 |
| Somatostatin receptor type 1 | IC50 | = | 105.0 | nM | 6.98 | Displacement of [125I]-[Leu8, DTrp22, Tyr25]-somatostatin-28 from human recombin... | 19067538 |
| Somatostatin receptor type 3 | IC50 | = | 515.0 | nM | 6.29 | Displacement of [125I]-[Leu8, DTrp22, Tyr25]-somatostatin-28 from human recombin... | 19067538 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19067538 | 10.1021/jm801205x | Somatostatin receptor type 5 | 3 |
| 19067538 | 10.1021/jm801205x | Unchecked | 1 |
| 19067538 | 10.1021/jm801205x | Somatostatin receptor type 1 | 1 |
| 19067538 | 10.1021/jm801205x | Somatostatin receptor type 2 | 1 |
| 19067538 | 10.1021/jm801205x | Somatostatin receptor type 3 | 1 |
| 19067538 | 10.1021/jm801205x | Somatostatin receptor type 4 | 1 |
Data from ChEMBL 36 via Core Engine