Compound Detail
CHEMBL4783565
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Cc1cc(Cl)cc(N2C=Nc3cc(C)c(-c4cccc(F)c4O)cc3C2C(=O)N(C)CC2CCCN2)c1
Basic Information
| ChEMBL ID | CHEMBL4783565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FGVUWBKWBAZBPK-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
521.0
MW (Da)
5.90
ALogP
5
HBA
2
HBD
68.2
PSA (Ų)
0.44
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Somatostatin receptor type 2 CHEMBL1804 | EC50 | 9.96 | 8.88 | 0.1 | 2 |
| Somatostatin receptor type 2 CHEMBL2978 | EC50 | 9.27 | 9.27 | 0.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| F | 5.0 | % | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Somatostatin receptor type 2 | EC50 | = | 0.11 | nM | 9.96 | Agonist activity at human SST2 expressed in CHO-K1 cells assessed as reduction i... | 32738999 |
| Somatostatin receptor type 2 | EC50 | = | 0.54 | nM | 9.27 | Agonist activity at rat SST2 | 32738999 |
| Somatostatin receptor type 2 | EC50 | = | 16.0 | nM | 7.8 | Agonist activity at human SST2 expressed in CHO-K1 cells assessed as reduction i... | 32738999 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32738999 | 10.1016/j.bmcl.2020.127391 | Somatostatin receptor type 2 | 3 |
| 32738999 | 10.1016/j.bmcl.2020.127391 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine