Compound Detail
CHEMBL365775
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Cn1cncc1C[C@H](N)C(=O)N1C(=O)CC[C@H]1C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O
Basic Information
| ChEMBL ID | CHEMBL365775 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WKQRLJGRLFCLNV-XSLAGTTESA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
513.6
MW (Da)
-2.27
ALogP
9
HBA
4
HBD
202.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.3
Ki 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyrotropin-releasing hormone receptor CHEMBL4553 | EC50 | 9.3 | 9.3 | 0.5 | 1 |
| Thyrotropin-releasing hormone receptor CHEMBL4553 | Ki | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyrotropin-releasing hormone receptor | EC50 | = | 0.5 | nM | 9.3 | Signaling (activation) potency for thyrotropin releasing hormone receptor 1 expr... | 16162016 |
| Thyrotropin-releasing hormone receptor | Ki | = | 3.0 | nM | 8.52 | Inhibitory constant against thyrotropin releasing hormone receptor 1 expressed i... | 16162016 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16162016 | 10.1021/jm0505462 | Thyrotropin-releasing hormone receptor | 2 |
Data from ChEMBL 36 via Core Engine