Compound Detail
CHEMBL39363
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Cn1cnc(C[C@H](NC(=O)[C@H]2CCC(=O)N2)C(=O)N2CCC[C@H]2C(N)=O)c1
Basic Information
| ChEMBL ID | CHEMBL39363 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | SFHRGIWZPBPAKE-AGIUHOORSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
376.4
MW (Da)
-1.80
ALogP
6
HBA
3
HBD
139.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 8.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyrotropin-releasing hormone receptor CHEMBL2467 | Ki | 8.92 | 8.92 | 1.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyrotropin-releasing hormone receptor | Ki | = | 1.2 | nM | 8.92 | Binding affinity against TRH-R receptor in AtT-20 mouse pituitary tumor cells | 8648595 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8648595 | 10.1021/jm960053k | Thyrotropin-releasing hormone receptor | 1 |
Data from ChEMBL 36 via Core Engine