Compound Detail
CHEMBL276131
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CN(C)c1ncc(-c2ccc(C(F)(F)F)cc2)c(N[C@@H]2C[C@@H]3CC[C@H]2C3)n1
Basic Information
| ChEMBL ID | CHEMBL276131 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBNLMFAQTBUYQQ-HACGYAERSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
4.83
ALogP
4
HBA
1
HBD
41.0
PSA (Ų)
0.83
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| GABA-B receptor CHEMBL2111463 | EC50 | 5.78 | 5.78 | 1659.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| GABA-B receptor | EC50 | = | 1659.59 | nM | 5.78 | Activity at GABAB 1b/2 receptor expressed in CHO-K1 cells assessed as effect on ... | 17884493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17884493 | 10.1016/j.bmcl.2007.09.023 | GABA-B receptor | 4 |
Data from ChEMBL 36 via Core Engine