Compound Detail
CHEMBL9551
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Basic Information
| ChEMBL ID | CHEMBL9551 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHLXYKZTGZDHLX-CMDGGOBGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
427.6
MW (Da)
6.23
ALogP
3
HBA
0
HBD
21.7
PSA (Ų)
0.40
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| T-cell line CHEMBL614685 | IC50 | 5.37 | 5.37 | 4300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| T-cell line | IC50 | = | 4300.0 | nM | 5.37 | In vitro inhibitory potency against human T-cells Rb efflux | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00163-7 | T-cell line | 1 |
Data from ChEMBL 36 via Core Engine