Compound Detail
CHEMBL90400
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Basic Information
| ChEMBL ID | CHEMBL90400 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYARWNWHFURUOU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
313.6
MW (Da)
5.96
ALogP
2
HBA
2
HBD
46.2
PSA (Ų)
0.31
QED
1
Ro5 Violations
18
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 6.06 | 6.06 | 867.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 867.0 | nM | 6.06 | Compound was tested for its effect on mouse allogenic mixed lymphocyte reaction(... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(96)00487-8 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine