Compound Detail
CHEMBL252033
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CN1C[C@H](C(=O)N2CCN(c3ccc4nsnc4n3)CC2)C[C@@H]2c3cccc4[nH]c(Br)c(c34)C[C@H]21
Basic Information
| ChEMBL ID | CHEMBL252033 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMAJOZIPAPZWEL-AKCHCHLHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
552.5
MW (Da)
3.64
ALogP
7
HBA
1
HBD
81.2
PSA (Ų)
0.41
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 2 meas. best 9.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 1 CHEMBL4652 | Kd | 9.43 | 9.43 | 0.4 | 1 |
| Somatostatin receptor type 2 CHEMBL2978 | Kd | 5.34 | 5.34 | 4570.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 1 | Kd | = | 0.3715 | nM | 9.43 | Displacement of [125I]SRIF14 from sst1 receptor in rat cortex | 18162395 |
| Somatostatin receptor type 2 | Kd | = | 4570.88 | nM | 5.34 | Displacement of [125I][Tyr3]octreotide from sst2 receptor in rat cortex | 18162395 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18162395 | 10.1016/j.bmcl.2007.12.030 | Somatostatin receptor type 1 | 1 |
| 18162395 | 10.1016/j.bmcl.2007.12.030 | Somatostatin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine