Compound Detail
CHEMBL4529707
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL4529707 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMQJEAZMZBCUHX-UHFFFAOYSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
311.4
MW (Da)
4.17
ALogP
3
HBA
2
HBD
70.2
PSA (Ų)
0.51
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 5.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| KOPN-8 CHEMBL4296456 | EC50 | 5.75 | 5.75 | 1780.0 | 1 |
| SUP-B15 CHEMBL4296498 | EC50 | 5.74 | 5.74 | 1810.0 | 1 |
| NALM-6 CHEMBL614187 | EC50 | 5.61 | 5.61 | 2470.0 | 1 |
| K562 CHEMBL385 | EC50 | 5.13 | 5.13 | 7330.0 | 1 |
| B-ALL CHEMBL4483287 | EC50 | 5.1 | 4.785 | 7890.0 | 2 |
| MV4-11 CHEMBL613835 | EC50 | 4.86 | 4.86 | 13680.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| KOPN-8 | EC50 | = | 1780.0 | nM | 5.75 | Antiproliferative activity against human KOPN8 assessed as reduction in cell via... | 30611980 |
| SUP-B15 | EC50 | = | 1810.0 | nM | 5.74 | Antiproliferative activity against human SUP-B15 assessed as reduction in cell v... | 30611980 |
| NALM-6 | EC50 | = | 2470.0 | nM | 5.61 | Antiproliferative activity against human NALM6 assessed as reduction in cell via... | 30611980 |
| K562 | EC50 | = | 7330.0 | nM | 5.13 | Antiproliferative activity against human K562 assessed as reduction in cell viab... | 30611980 |
| B-ALL | EC50 | = | 7890.0 | nM | 5.1 | Antiproliferative activity against mouse B-ALL cells expressing wild type BCR-AB... | 30611980 |
| MV4-11 | EC50 | = | 13680.0 | nM | 4.86 | Antiproliferative activity against human MV411 assessed as reduction in cell via... | 30611980 |
| B-ALL | EC50 | = | 34190.0 | nM | 4.47 | Antiproliferative activity against mouse B-ALL BCR-ABL double knockout cells ass... | 30611980 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30611980 | 10.1016/j.ejmech.2018.12.059 | B-ALL | 2 |
| 30611980 | 10.1016/j.ejmech.2018.12.059 | NALM-6 | 1 |
| 30611980 | 10.1016/j.ejmech.2018.12.059 | UoC-B1 | 1 |
| 30611980 | 10.1016/j.ejmech.2018.12.059 | KOPN-8 | 1 |
| 30611980 | 10.1016/j.ejmech.2018.12.059 | SUP-B15 | 1 |
| 30611980 | 10.1016/j.ejmech.2018.12.059 | MV4-11 | 1 |
| 30611980 | 10.1016/j.ejmech.2018.12.059 | K562 | 1 |
| 30611980 | 10.1016/j.ejmech.2018.12.059 | Unchecked | 1 |
| 30611980 | 10.1016/j.ejmech.2018.12.059 | BJ | 1 |
Data from ChEMBL 36 via Core Engine