Compound Detail
CHEMBL1201959
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O=C(O)C(=O)O.c1ccc(-c2c[nH]c(C3Cc4c([nH]c5ccccc45)C(C4CCCCC4)N3)n2)cc1
Basic Information
| ChEMBL ID | CHEMBL1201959 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CXRYIOWSYCMRBZ-UHFFFAOYSA-N |
| Parent Compound | CHEMBL102892 |
| Active Moiety | CHEMBL102892 |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
396.5
MW (Da)
6.07
ALogP
2
HBA
3
HBD
56.5
PSA (Ų)
0.39
QED
1
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.77
IC50 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 3 CHEMBL2028 | Ki | 8.77 | 8.77 | 1.7 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | Ki | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 3 | Ki | = | 1.7 | nM | 8.77 | Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cell... | 11520208 |
| Somatostatin receptor type 3 | IC50 | = | 19.0 | nM | 7.72 | Inhibitory concentration required to inhibit SRIF-14 induced reduction of cAMP i... | 11520208 |
| Somatostatin receptor type 1 | Ki | = | 1800.0 | nM | 5.75 | Inhibition of [125 I -Tyr]SRIF-14 binding to membranes isolated from CHO-K1 cell... | 11520208 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11520208 | 10.1021/jm0108449 | Somatostatin receptor type 3 | 2 |
| 11520208 | 10.1021/jm0108449 | Somatostatin receptor type 1 | 1 |
| 11520208 | 10.1021/jm0108449 | Somatostatin receptor type 2 | 1 |
| 11520208 | 10.1021/jm0108449 | Somatostatin receptor type 4 | 1 |
| 11520208 | 10.1021/jm0108449 | Somatostatin receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine