Compound Detail
CHEMBL522049
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Basic Information
| ChEMBL ID | CHEMBL522049 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VZIYFIWZMRZRBB-UHFFFAOYSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
435.6
MW (Da)
2.84
ALogP
7
HBA
2
HBD
86.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 5.17 | 5.17 | 6700.0 | 1 |
| L1210 CHEMBL386 | IC50 | 5.17 | 5.17 | 6800.0 | 1 |
| FM3A CHEMBL614297 | IC50 | 5.16 | 5.16 | 6900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 4800.0 | nM | 5.32 | Antiproliferative activity against human Molt4/C8 cells | 18725179 |
| L1210 | IC50 | = | 6800.0 | nM | 5.17 | Antiproliferative activity against mouse L1210 cells | 18725179 |
| CCRF-CEM | IC50 | = | 6700.0 | nM | 5.17 | Antiproliferative activity against human CEM cells | 18725179 |
| FM3A | IC50 | = | 6900.0 | nM | 5.16 | Antiproliferative activity against mouse FM3A cells | 18725179 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18725179 | 10.1016/j.bmcl.2008.08.006 | FM3A | 1 |
| 18725179 | 10.1016/j.bmcl.2008.08.006 | L1210 | 1 |
| 18725179 | 10.1016/j.bmcl.2008.08.006 | CCRF-CEM | 1 |
| 18725179 | 10.1016/j.bmcl.2008.08.006 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine