Compound Detail
CHEMBL3600452
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Basic Information
| ChEMBL ID | CHEMBL3600452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RQSDXZRJCGCOEC-JQWIXIFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
436.3
MW (Da)
-0.22
ALogP
6
HBA
3
HBD
147.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyrotropin-releasing hormone receptor 2 CHEMBL3600274 | EC50 | 7.32 | 7.32 | 48.0 | 1 |
| Thyrotropin-releasing hormone receptor CHEMBL2467 | EC50 | 5.4 | 5.4 | 3980.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyrotropin-releasing hormone receptor 2 | EC50 | = | 48.0 | nM | 7.32 | Agonist activity at mouse TRH-R2 expressed in HEK293 cells assessed as induction... | 26216015 |
| Thyrotropin-releasing hormone receptor | EC50 | = | 3980.0 | nM | 5.4 | Agonist activity at mouse TRH-R1 expressed in HEK293 cells assessed as induction... | 26216015 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26216015 | 10.1016/j.bmc.2015.07.022 | Thyrotropin-releasing hormone receptor | 2 |
| 26216015 | 10.1016/j.bmc.2015.07.022 | Thyrotropin-releasing hormone receptor 2 | 2 |
| 26216015 | 10.1016/j.bmc.2015.07.022 | Unchecked | 1 |
| 26216015 | 10.1016/j.bmc.2015.07.022 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine