Compound Detail
CHEMBL83554
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Basic Information
| ChEMBL ID | CHEMBL83554 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BFIYERMDHQZDNR-QPJJXVBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
272.3
MW (Da)
1.79
ALogP
6
HBA
2
HBD
92.5
PSA (Ų)
0.65
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 5.66 | 5.66 | 2200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 2200.0 | nM | 5.66 | In vitro cytotoxic activity against CCRF-CEM human lymphoblastoid cells in cultu... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/0960-894X(96)00451-9 | CCRF-CEM | 1 |
| 17341060 | 10.1021/jm061445m | ADMET | 1 |
Data from ChEMBL 36 via Core Engine