Compound Detail
CHEMBL1669684
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Basic Information
| ChEMBL ID | CHEMBL1669684 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CYRNGCSWFLNGPC-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
275.4
MW (Da)
3.45
ALogP
2
HBA
0
HBD
29.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.77 | 5.76 | 1700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 1700.0 | nM | 5.77 | Binding affinity to rat MT1 receptor expressed in CHO-Galpha16 cells assessed as... | 21237644 |
| Unchecked | EC50 | = | 1800.0 | nM | 5.75 | Binding affinity to rat MT2 receptor expressed in CHO-Galpha16 cells assessed as... | 21237644 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21237644 | 10.1016/j.bmcl.2010.12.068 | Unchecked | 6 |
Data from ChEMBL 36 via Core Engine