Compound Detail
CHEMBL4782501
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Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(C#N)c4)c(=O)c3c2CN(C)C[C@@H]2CCCN2)c1
Basic Information
| ChEMBL ID | CHEMBL4782501 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBRVGCBMQIZFJD-QHCPKHFHSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
478.6
MW (Da)
4.12
ALogP
7
HBA
1
HBD
86.8
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 2 CHEMBL1804 | EC50 | 7.51 | 7.505 | 31.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 2 | EC50 | = | 31.0 | nM | 7.51 | Agonist activity at human SST2 expressed in CHOK1 cells assessed as inhibition o... | 32805408 |
| Somatostatin receptor type 2 | EC50 | = | 31.62 | nM | 7.5 | Agonist activity at human SST2 expressed in CHOK1 cells assessed as inhibition o... | 32805408 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32805408 | 10.1016/j.bmcl.2020.127496 | Somatostatin receptor type 2 | 2 |
Data from ChEMBL 36 via Core Engine