Compound Detail
CHEMBL4758610
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Cc1cc(C)cc(-c2cnc3ncn(-c4cccc(O)c4)c(=O)c3c2CN(C)C[C@H](C)N)c1
Basic Information
| ChEMBL ID | CHEMBL4758610 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTNQSJVZAKLMEC-SFHVURJKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
443.6
MW (Da)
3.55
ALogP
7
HBA
2
HBD
97.3
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 2 CHEMBL1804 | EC50 | 7.3 | 7.3 | 50.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 2 | EC50 | = | 50.12 | nM | 7.3 | Agonist activity at human SST2 expressed in CHOK1 cells assessed as inhibition o... | 32805408 |
| Somatostatin receptor type 2 | EC50 | = | 50.0 | nM | 7.3 | 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