Compound Detail
CHEMBL87976
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Basic Information
| ChEMBL ID | CHEMBL87976 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KXVPQDCCCMQCEJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
358.3
MW (Da)
1.70
ALogP
7
HBA
1
HBD
101.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | IC50 | 5.41 | 5.41 | 3900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | IC50 | = | 3900.0 | nM | 5.41 | Inhibition of AP-1 and NF-kB-mediated transcriptional activation in Jurkat cells | 12182863 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12182863 | 10.1016/s0960-894x(02)00517-6 | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine