Compound Detail
CHEMBL2367837
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CCCCCC1(CCCCC)N[C@H](c2nc(-c3ccccc3)c[nH]2)Cc2c1[nH]c1ccccc21
Basic Information
| ChEMBL ID | CHEMBL2367837 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DGSMSHNIDMODOQ-SANMLTNESA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
454.7
MW (Da)
7.80
ALogP
2
HBA
3
HBD
56.5
PSA (Ų)
0.21
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.08
Ki 1 meas. best 9.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 3 CHEMBL2028 | IC50 | 9.08 | 9.08 | 0.8 | 1 |
| Somatostatin receptor type 3 CHEMBL2028 | Ki | 9.04 | 9.04 | 0.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 3 | IC50 | = | 0.84 | nM | 9.08 | Inhibitory concentration required to inhibit SRIF-14 induced reduction of cAMP i... | 11520208 |
| Somatostatin receptor type 3 | Ki | = | 0.92 | nM | 9.04 | 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