Compound Detail
CHEMBL1669704
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Basic Information
| ChEMBL ID | CHEMBL1669704 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUUGPJBZPMPVKP-GFCCVEGCSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
308.8
MW (Da)
2.84
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.93
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.62
Ki 2 meas. best 7.51
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 24.0 | nM | 7.62 | Displacement of [3H]melatonin from rat MT2 receptor expressed in CHO-Galpha16 ce... | 21237644 |
| Unchecked | Ki | = | 31.0 | nM | 7.51 | Displacement of [3H]melatonin from rat MT2 receptor expressed in CHO-Galpha16 ce... | 21237644 |
| Unchecked | Ki | = | 130.0 | nM | 6.89 | Displacement of [3H]melatonin from rat MT1 receptor expressed in CHO-Galpha16 ce... | 21237644 |
| Unchecked | IC50 | = | 440.0 | nM | 6.36 | Displacement of [3H]melatonin from rat MT1 receptor expressed in CHO-Galpha16 ce... | 21237644 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21237644 | 10.1016/j.bmcl.2010.12.068 | Unchecked | 11 |
Data from ChEMBL 36 via Core Engine