Compound Detail
CHEMBL59800
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Basic Information
| ChEMBL ID | CHEMBL59800 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ACQYDHLPRKXFPV-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
316.3
MW (Da)
4.51
ALogP
2
HBA
1
HBD
42.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Mus musculus CHEMBL375 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 700.0 | nM | 6.16 | In vitro inhibition of Ab formation from trinitrophenyl-lipopolysaccharide (TNP-... | 11384243 |
| Mus musculus | IC50 | = | 6700.0 | nM | 5.17 | In vitro T-cell immunosuppressive activity in the mouse mixed lymphocyte reactio... | 11384243 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11384243 | 10.1021/jm010822m | Unchecked | 1 |
| 11384243 | 10.1021/jm010822m | Mus musculus | 1 |
| 11384243 | 10.1021/jm010822m | Jurkat | 1 |
Data from ChEMBL 36 via Core Engine