Compound Detail
CHEMBL5396359
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Basic Information
| ChEMBL ID | CHEMBL5396359 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LNPRNIABVLYBSN-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
489.4
MW (Da)
5.66
ALogP
5
HBA
3
HBD
90.5
PSA (Ų)
0.41
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NB-4 CHEMBL614188 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| MOLM-13 CHEMBL3706572 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Alpha-ketoglutarate-dependent dioxygenase FTO CHEMBL2331065 | IC50 | 5.4 | 5.4 | 4000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NB-4 | IC50 | = | 1000.0 | nM | 6.0 | Antiproliferative activity against human NB4 cells incubated for 72 hrs by CCK8 ... | 37418628 |
| MOLM-13 | IC50 | = | 1500.0 | nM | 5.82 | Antiproliferative activity against human MOLM-13 cells incubated for 72 hrs by C... | 37418628 |
| Alpha-ketoglutarate-dependent dioxygenase FTO | IC50 | = | 4000.0 | nM | 5.4 | Inhibition of FTO (unknown origin) | 37418628 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37418628 | 10.1021/acs.jmedchem.3c00543 | Alpha-ketoglutarate-dependent dioxygenase FTO | 1 |
| 37418628 | 10.1021/acs.jmedchem.3c00543 | MOLM-13 | 1 |
| 37418628 | 10.1021/acs.jmedchem.3c00543 | NB-4 | 1 |
| 37418628 | 10.1021/acs.jmedchem.3c00543 | No relevant target | 1 |
| 37418628 | 10.1021/acs.jmedchem.3c00543 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine