Compound Detail
CHEMBL107238
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NC(=O)[C@@H]1CC[C@H]2CC(C3CCCCC3)=C(N3CC[C@]4(CCC(=O)N4)C3=O)C(=O)N21
Basic Information
| ChEMBL ID | CHEMBL107238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UHPPHOTXFKINLG-KHJUTWJGSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
414.5
MW (Da)
0.95
ALogP
4
HBA
2
HBD
112.8
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.75
Ki 1 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Thyrotropin-releasing hormone receptor CHEMBL2467 | Ki | 5.82 | 5.82 | 1500.0 | 1 |
| Thyrotropin-releasing hormone receptor CHEMBL2467 | EC50 | 5.75 | 5.75 | 1800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Thyrotropin-releasing hormone receptor | Ki | = | 1500.0 | nM | 5.82 | Ability to bind thyroliberin endocrine receptor (TRH-R) using AtT-20 mouse pitui... | 9873682 |
| Thyrotropin-releasing hormone receptor | EC50 | = | 1800.0 | nM | 5.75 | Ability to activate thyroliberin endocrine receptor (TRH-R) using AtT-20 mouse p... | 9873682 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873682 | 10.1016/s0960-894x(98)00567-8 | Thyrotropin-releasing hormone receptor | 2 |
Data from ChEMBL 36 via Core Engine