Compound Detail
CHEMBL4779581
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Basic Information
| ChEMBL ID | CHEMBL4779581 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UOPHOJBBUHVCIW-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
427.8
MW (Da)
3.70
ALogP
7
HBA
3
HBD
117.8
PSA (Ų)
0.46
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.25
IC50 1 meas. best 8.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Mucosa-associated lymphoid tissue lymphoma translocation protein 1 CHEMBL3632452 | IC50 | 8.15 | 8.15 | 7.0 | 1 |
| OCI-Ly3 CHEMBL4523565 | EC50 | 6.25 | 6.25 | 560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | IC50 | = | 7.0 | nM | 8.15 | Inhibition of MALT1 (unknown origin) by Glosensor reporter gene assay | 31129051 |
| OCI-Ly3 | EC50 | = | 560.0 | nM | 6.25 | Antiproliferative activity against human OCILY3 cells by cell proliferation assa... | 31129051 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31129051 | 10.1016/j.bmcl.2019.05.040 | Mucosa-associated lymphoid tissue lymphoma translocation protein 1 | 1 |
| 31129051 | 10.1016/j.bmcl.2019.05.040 | OCI-Ly3 | 1 |
Data from ChEMBL 36 via Core Engine