Compound Detail
CHEMBL473574
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Basic Information
| ChEMBL ID | CHEMBL473574 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GSIWVCZWHKCYRK-ZIOPAAQOSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
4.28
ALogP
2
HBA
0
HBD
20.3
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| CCRF-CEM CHEMBL382 | IC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| CCRF-CEM | IC50 | = | 6000.0 | nM | 5.22 | Cytotoxicity against human CEM cells after 72 hrs | 18468733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18468733 | 10.1016/j.ejmech.2008.03.015 | ADMET | 3 |
| 18468733 | 10.1016/j.ejmech.2008.03.015 | HSC-2 | 1 |
| 18468733 | 10.1016/j.ejmech.2008.03.015 | HSC-3 | 1 |
| 18468733 | 10.1016/j.ejmech.2008.03.015 | HSC-4 | 1 |
| 18468733 | 10.1016/j.ejmech.2008.03.015 | HL-60 | 1 |
| 18468733 | 10.1016/j.ejmech.2008.03.015 | Mus musculus | 1 |
| 18468733 | 10.1016/j.ejmech.2008.03.015 | NON-PROTEIN TARGET | 1 |
| 18468733 | 10.1016/j.ejmech.2008.03.015 | CCRF-CEM | 1 |
| 18468733 | 10.1016/j.ejmech.2008.03.015 | L1210 | 1 |
Data from ChEMBL 36 via Core Engine