Compound Detail
CHEMBL4442310
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Basic Information
| ChEMBL ID | CHEMBL4442310 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWNYIUSVPDIGEZ-UHFFFAOYSA-N |
3
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
417.2
MW (Da)
5.35
ALogP
6
HBA
2
HBD
97.0
PSA (Ų)
0.46
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO CHEMBL2331065 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| NB-4 CHEMBL614188 | IC50 | 5.28 | 5.24 | 5300.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 5.24 | 5.12 | 5800.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Alpha-ketoglutarate-dependent dioxygenase FTO | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of FTO (unknown origin) assessed as reduction in demethylation using ... | - |
| NB-4 | IC50 | = | 5300.0 | nM | 5.28 | Cytotoxicity against human NB4 cells assessed as inhibition of cell growth incub... | - |
| Unchecked | IC50 | = | 5800.0 | nM | 5.24 | Cytotoxicity against human MM6 cells assessed as inhibition of cell growth incub... | - |
| NB-4 | IC50 | = | 6300.0 | nM | 5.2 | Cytotoxicity against human NB4 cells assessed as inhibition of cell growth incub... | - |
| Unchecked | IC50 | = | 9900.0 | nM | 5.0 | Cytotoxicity against human MM6 cells assessed as inhibition of cell growth incub... | - |
Data from ChEMBL 36 via Core Engine