Compound Detail
CHEMBL4210499
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Basic Information
| ChEMBL ID | CHEMBL4210499 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UCUWSCFHYLUMMT-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
479.3
MW (Da)
5.76
ALogP
5
HBA
1
HBD
63.8
PSA (Ų)
0.33
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma CHEMBL1741186 | Kd | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear receptor ROR-gamma | Kd | = | 20000.0 | nM | 4.7 | Displacement of 1,8-ANS from human N-terminal His-tagged RORgammat LBD (850 to 1... | 29079472 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29079472 | 10.1016/j.bmcl.2017.10.027 | Nuclear receptor ROR-gamma | 3 |
Data from ChEMBL 36 via Core Engine