Compound Detail
CHEMBL96440
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Basic Information
| ChEMBL ID | CHEMBL96440 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XBDDIYJRGSSCAK-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
309.3
MW (Da)
3.88
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.80
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rattus norvegicus CHEMBL376 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
| Homo sapiens CHEMBL372 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rattus norvegicus | IC50 | = | 110.0 | nM | 6.96 | Immunosuppressant activity in rat using mixed leukocyte response (MLR). | 9873623 |
| Homo sapiens | IC50 | = | 1100.0 | nM | 5.96 | Immunosuppressant activity using human mixed leukocyte response (HMLR). | 9873623 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9873623 | 10.1016/s0960-894x(98)00501-0 | Rattus norvegicus | 1 |
| 9873623 | 10.1016/s0960-894x(98)00501-0 | Homo sapiens | 1 |
Data from ChEMBL 36 via Core Engine