Compound Detail
CHEMBL1669702
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Basic Information
| ChEMBL ID | CHEMBL1669702 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQYNIMPSBOGDGR-CYBMUJFWSA-N |
1
Targets
5
Activities
3
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
274.4
MW (Da)
2.19
ALogP
3
HBA
1
HBD
41.6
PSA (Ų)
0.91
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.03
Ki 2 meas. best 7.02
IC50 1 meas. best 8.0
Target Activity Profile
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 10.0 | nM | 8.0 | Displacement of [3H]melatonin from rat MT2 receptor expressed in CHO-Galpha16 ce... | 21237644 |
| Unchecked | EC50 | = | 93.0 | nM | 7.03 | Binding affinity to rat MT2 receptor expressed in CHO-Galpha16 cells assessed as... | 21237644 |
| Unchecked | Ki | = | 95.0 | nM | 7.02 | Displacement of [3H]melatonin from rat MT2 receptor expressed in CHO-Galpha16 ce... | 21237644 |
| Unchecked | Ki | = | 1000.0 | nM | 6.0 | Displacement of [3H]melatonin from rat MT1 receptor expressed in CHO-Galpha16 ce... | 21237644 |
| Unchecked | EC50 | = | 3500.0 | nM | 5.46 | Binding affinity to rat MT1 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 | 9 |
Data from ChEMBL 36 via Core Engine