Compound Detail
CHEMBL249111
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COc1ccc(C(C)=O)c2c1C[C@H]1C[C@@H](C(=O)N3CCN(c4ccc5nsnc5n4)CC3)CN(C)[C@@H]1C2
Basic Information
| ChEMBL ID | CHEMBL249111 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GBBWPPZDGCIUKR-PMAPCBKXSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
520.7
MW (Da)
2.68
ALogP
9
HBA
0
HBD
91.8
PSA (Ų)
0.49
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 1 CHEMBL4652 | Kd | 7.46 | 7.46 | 34.7 | 1 |
| Somatostatin receptor type 2 CHEMBL2978 | Kd | 5.54 | 5.54 | 2884.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 1 | Kd | = | 34.67 | nM | 7.46 | Displacement of [125I]SRIF14 from sst1 receptor in rat brain cortex membrane | 17507221 |
| Somatostatin receptor type 2 | Kd | = | 2884.03 | nM | 5.54 | Displacement of [125I]SRIF14 from sst2 receptor in rat brain cortex membrane | 17507221 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17507221 | 10.1016/j.bmcl.2007.04.086 | Somatostatin receptor type 2 | 1 |
| 17507221 | 10.1016/j.bmcl.2007.04.086 | Somatostatin receptor type 1 | 1 |
Data from ChEMBL 36 via Core Engine