Compound Detail
CHEMBL508286
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Basic Information
| ChEMBL ID | CHEMBL508286 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XRZKQIKCBJVGTF-JLHYYAGUSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
266.3
MW (Da)
3.35
ALogP
3
HBA
0
HBD
35.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.11 | 5.11 | 7750.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 5.1 | 5.1 | 7920.0 | 1 |
| HUVEC CHEMBL613979 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
| L1210 CHEMBL386 | IC50 | 4.33 | 4.33 | 46900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 7750.0 | nM | 5.11 | Cytotoxicity against human Molt 4/C8 cells after 72 hrs | 17692998 |
| CCRF-CEM | IC50 | = | 7920.0 | nM | 5.1 | Cytotoxicity against human CEM cells after 72 hrs | 17692998 |
| HUVEC | IC50 | = | 19000.0 | nM | 4.72 | Cytotoxicity against HUVEC by MTT assay | 25743215 |
| L1210 | IC50 | = | 46900.0 | nM | 4.33 | Cytotoxicity against mouse L1210 cells after 48 hrs | 17692998 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17692998 | 10.1016/j.ejmech.2007.06.017 | ADMET | 3 |
| 17692998 | 10.1016/j.ejmech.2007.06.017 | NON-PROTEIN TARGET | 1 |
| 17692998 | 10.1016/j.ejmech.2007.06.017 | CCRF-CEM | 1 |
| 17692998 | 10.1016/j.ejmech.2007.06.017 | L1210 | 1 |
| 17692998 | 10.1016/j.ejmech.2007.06.017 | HSC-2 | 1 |
| 17692998 | 10.1016/j.ejmech.2007.06.017 | HSC-3 | 1 |
| 17692998 | 10.1016/j.ejmech.2007.06.017 | HSC-4 | 1 |
| 17692998 | 10.1016/j.ejmech.2007.06.017 | HL-60 | 1 |
| 17692998 | 10.1016/j.ejmech.2007.06.017 | Mus musculus | 1 |
| 25743215 | 10.1016/j.ejmech.2015.02.048 | HUVEC | 1 |
Data from ChEMBL 36 via Core Engine