Compound Detail
CHEMBL1766100
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Cc1cc(C)cc(-c2cnc3cc(Cl)c(-c4cnn(C)c4)cc3c2OCC[C@H]2CCCCN2)c1
Basic Information
| ChEMBL ID | CHEMBL1766100 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHCXIXPPJNYKTE-JOCHJYFZSA-N |
1
Targets
2
Activities
2
Assay Types
3
PK Parameters
3
Publications
0
Known Names
Molecular Properties
475.0
MW (Da)
6.48
ALogP
5
HBA
1
HBD
52.0
PSA (Ų)
0.35
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.32
Ki 1 meas. best 10.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 2 CHEMBL1804 | Ki | 10.6 | 10.6 | 0.0 | 1 |
| Somatostatin receptor type 2 CHEMBL1804 | IC50 | 8.32 | 8.32 | 4.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 14.0 | mL.min-1.kg-1 | Rattus norvegicus |
| F | 27.0 | % | Rattus norvegicus |
| T1/2 | 3.7 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 2 | Ki | = | 0.025 | nM | 10.6 | Displacement of I125-somatostatin-14 from human SST2 expressed in CHO cells afte... | 21395312 |
| Somatostatin receptor type 2 | IC50 | = | 4.8 | nM | 8.32 | Agonist activity at human SST2 expressed in CHO cells assessed as inhibition of ... | 21395312 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21395312 | 10.1021/jm101501b | Rattus norvegicus | 4 |
| 21395312 | 10.1021/jm101501b | Unchecked | 3 |
| 21395312 | 10.1021/jm101501b | Somatostatin receptor type 2 | 2 |
Data from ChEMBL 36 via Core Engine