Compound Detail
CHEMBL382714
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CC(C)(C)c1nc(C[C@H](NC(=O)[C@@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c[nH]1
Basic Information
| ChEMBL ID | CHEMBL382714 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | QHZBXEVAWYKZHF-IHRRRGAJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
418.5
MW (Da)
-0.51
ALogP
5
HBA
4
HBD
150.3
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyrotropin-releasing hormone receptor 2 CHEMBL3875 | EC50 | 5.89 | 5.89 | 1300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyrotropin-releasing hormone receptor 2 | EC50 | = | 1300.0 | nM | 5.89 | Signaling (activation) potency for thyrotropin releasing hormone receptor 2 expr... | 16162016 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16162016 | 10.1021/jm0505462 | Thyrotropin-releasing hormone receptor | 2 |
| 16162016 | 10.1021/jm0505462 | Thyrotropin-releasing hormone receptor 2 | 2 |
| 16162016 | 10.1021/jm0505462 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine