Compound Detail
CHEMBL4525540
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Basic Information
| ChEMBL ID | CHEMBL4525540 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FAXHWWPCICIRHY-YBEGLDIGSA-N |
6
Targets
7
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
317.4
MW (Da)
4.93
ALogP
2
HBA
2
HBD
53.2
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 7 meas. best 5.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NALM-6 CHEMBL614187 | EC50 | 5.97 | 5.97 | 1070.0 | 1 |
| B-ALL CHEMBL4483287 | EC50 | 5.91 | 5.405 | 1240.0 | 2 |
| UoC-B1 CHEMBL4513133 | EC50 | 5.83 | 5.83 | 1490.0 | 1 |
| BJ CHEMBL614358 | EC50 | 5.06 | 5.06 | 8709.8 | 1 |
| KOPN-8 CHEMBL4296456 | EC50 | 4.83 | 4.83 | 14700.0 | 1 |
| SUP-B15 CHEMBL4296498 | EC50 | 4.59 | 4.59 | 25860.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NALM-6 | EC50 | = | 1070.0 | nM | 5.97 | Antiproliferative activity against human NALM6 assessed as reduction in cell via... | 30611980 |
| B-ALL | EC50 | = | 1240.0 | nM | 5.91 | Antiproliferative activity against mouse B-ALL cells expressing wild type BCR-AB... | 30611980 |
| UoC-B1 | EC50 | = | 1490.0 | nM | 5.83 | Antiproliferative activity against human UOCB1 assessed as reduction in cell via... | 30611980 |
| BJ | EC50 | = | 8709.8 | nM | 5.06 | Antiproliferative activity against human BJ assessed as cell viability after 72 ... | 30611980 |
| B-ALL | EC50 | = | 12530.0 | nM | 4.9 | Antiproliferative activity against mouse B-ALL BCR-ABL double knockout cells ass... | 30611980 |
| KOPN-8 | EC50 | = | 14700.0 | nM | 4.83 | Antiproliferative activity against human KOPN8 assessed as reduction in cell via... | 30611980 |
| SUP-B15 | EC50 | = | 25860.0 | nM | 4.59 | Antiproliferative activity against human SUP-B15 assessed as reduction in cell v... | 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