Compound Detail
CHEMBL5174163
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Basic Information
| ChEMBL ID | CHEMBL5174163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JFTIBWFVEQKHMS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
498.4
MW (Da)
4.53
ALogP
5
HBA
3
HBD
104.4
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Nuclear factor of activated T-cells, cytoplasmic 1 CHEMBL3876 | IC50 | 5.35 | 5.35 | 4500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Nuclear factor of activated T-cells, cytoplasmic 1 | IC50 | = | 4500.0 | nM | 5.35 | Inhibition of NFATC activity in HEK293T cells preincubated for 2 hrs followed by... | 35700596 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35700596 | 10.1016/j.ejmech.2022.114514 | Nuclear factor of activated T-cells, cytoplasmic 1 | 7 |
| 35700596 | 10.1016/j.ejmech.2022.114514 | ADMET | 5 |
| 35700596 | 10.1016/j.ejmech.2022.114514 | 4T1 | 2 |
| 35700596 | 10.1016/j.ejmech.2022.114514 | Protein phosphatase 3 catalytic subunit alpha | 1 |
| 35700596 | 10.1016/j.ejmech.2022.114514 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine