Compound Detail
CHEMBL523396
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Basic Information
| ChEMBL ID | CHEMBL523396 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWLYDGLECFVMIT-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
482.6
MW (Da)
4.28
ALogP
8
HBA
1
HBD
100.3
PSA (Ų)
0.50
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 5.08 | 5.08 | 8300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 7500.0 | nM | 5.12 | Antiproliferative activity against human Molt4/C8 cells | 18725179 |
| CCRF-CEM | IC50 | = | 8300.0 | nM | 5.08 | Antiproliferative activity against human CEM 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