Compound Detail
CHEMBL100953
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Basic Information
| ChEMBL ID | CHEMBL100953 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGIMHJCITNZUIU-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
307.5
MW (Da)
3.20
ALogP
3
HBA
3
HBD
66.5
PSA (Ų)
0.52
QED
0
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mus musculus CHEMBL375 | IC50 | 7.72 | 7.72 | 19.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mus musculus | IC50 | = | 19.0 | nM | 7.72 | In vitro ability to inhibit mouse allogenic mixed leukocyte response (MLR) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10956203 | 10.1021/jm000173z | Rattus norvegicus | 4 |
| - | 10.1016/0960-894X(95)00127-F | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine