Compound Detail
CHEMBL146022
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COC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)OC(=O)N1CCC2(CCc3ccccc32)CC1
Basic Information
| ChEMBL ID | CHEMBL146022 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RLJAGKCCDNSYPX-VSGBNLITSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
560.7
MW (Da)
3.98
ALogP
6
HBA
3
HBD
126.8
PSA (Ų)
0.25
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 2 CHEMBL3207 | Ki | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 2 | Ki | = | 10.0 | nM | 8.0 | In vitro binding affinity was evaluated against mouse Somatostatin receptor type... | 10091708 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10091708 | 10.1016/s0960-894x(99)00016-5 | Somatostatin receptor type 2 | 1 |
Data from ChEMBL 36 via Core Engine