Compound Detail
CHEMBL368334
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
COc1ccc(C(=N)N[C@H](Cc2c[nH]c3ccccc23)c2nc(-c3ccccc3)c[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL368334 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FPROEWGCWWRFDP-XMMPIXPASA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
435.5
MW (Da)
5.47
ALogP
3
HBA
4
HBD
89.6
PSA (Ų)
0.20
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 3 CHEMBL2028 | Ki | 7.44 | 7.44 | 36.0 | 1 |
| Somatostatin receptor type 5 CHEMBL1792 | Ki | 5.79 | 5.79 | 1620.0 | 1 |
| Somatostatin receptor type 1 CHEMBL1917 | Ki | 5.64 | 5.64 | 2310.0 | 1 |
| Somatostatin receptor type 4 CHEMBL1853 | Ki | 5.3 | 5.3 | 5010.0 | 1 |
| Somatostatin receptor type 2 CHEMBL1804 | Ki | 5.21 | 5.21 | 6180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 3 | Ki | = | 36.0 | nM | 7.44 | Inhibition of human sst3 receptor expressed in CHO cells | 11327607 |
| Somatostatin receptor type 5 | Ki | = | 1620.0 | nM | 5.79 | Inhibition of human sst5 receptor expressed in CHO cells | 11327607 |
| Somatostatin receptor type 1 | Ki | = | 2310.0 | nM | 5.64 | Inhibition of human sst1 receptor expressed in CHO cells | 11327607 |
| Somatostatin receptor type 4 | Ki | = | 5010.0 | nM | 5.3 | Inhibition of human sst4 receptor expressed in CHO cells | 11327607 |
| Somatostatin receptor type 2 | Ki | = | 6180.0 | nM | 5.21 | Inhibition of human sst2 receptor expressed in CHO cells | 11327607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11327607 | 10.1016/s0960-894x(01)00107-x | Somatostatin receptor type 1 | 1 |
| 11327607 | 10.1016/s0960-894x(01)00107-x | Somatostatin receptor type 2 | 1 |
| 11327607 | 10.1016/s0960-894x(01)00107-x | Somatostatin receptor type 3 | 1 |
| 11327607 | 10.1016/s0960-894x(01)00107-x | Somatostatin receptor type 4 | 1 |
| 11327607 | 10.1016/s0960-894x(01)00107-x | Somatostatin receptor type 5 | 1 |
Data from ChEMBL 36 via Core Engine