Compound Detail
CHEMBL304452
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Basic Information
| ChEMBL ID | CHEMBL304452 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SUWWSIAZVKMVKR-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
299.2
MW (Da)
3.21
ALogP
3
HBA
2
HBD
66.4
PSA (Ų)
0.82
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 5.9 | 5.9 | 1250.0 | 1 |
| ADMET CHEMBL612558 | IC50 | 5.54 | 5.3467 | 2900.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 1250.0 | nM | 5.9 | The compound was tested for in vitro mixed lymphocyte reaction. | 9207942 |
| ADMET | IC50 | = | 2900.0 | nM | 5.54 | In vitro inhibition of lymphocyte activated CD2 antigens induced by monoclonal a... | 9207942 |
| ADMET | IC50 | = | 2900.0 | nM | 5.54 | In vitro inhibition of lymphocyte activated CD25 antigens induced by monoclonal ... | 9207942 |
| ADMET | IC50 | = | 11100.0 | nM | 4.96 | In vitro inhibition of lymphocyte activated CD71 antigens induced by monoclonal ... | 9207942 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9207942 | 10.1021/jm970039n | ADMET | 3 |
| 9207942 | 10.1021/jm970039n | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine