Compound Detail
CHEMBL4285770
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CC(C)(C)C(=O)OCn1nnc(-c2ccnc(-c3ncn(Cc4ccccc4Cl)c3-c3ccc(F)cc3)c2)n1
Basic Information
| ChEMBL ID | CHEMBL4285770 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UEEKEMKOZUPLBE-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
546.0
MW (Da)
5.65
ALogP
9
HBA
0
HBD
100.6
PSA (Ų)
0.24
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 2B CHEMBL3779760 | IC50 | 6.0 | 5.63 | 1000.0 | 2 |
| Lysine-specific demethylase 4C CHEMBL6175 | IC50 | 6.0 | 5.63 | 1000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 4C | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of recombinant human N-terminal GST-tagged JMJD2C (2 to 372 residues)... | - |
| Lysine-specific demethylase 2B | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of recombinant human C-terminal FLAG-tagged FBXL10 (1 to 650 residues... | - |
| Lysine-specific demethylase 4C | IC50 | = | 5500.0 | nM | 5.26 | JMJD2C Assay: The ability of test compounds to inhibit the activity of JMJD2C wa... | - |
| Lysine-specific demethylase 2B | IC50 | = | 5500.0 | nM | 5.26 | FBXL10 Assay: The ability of test compounds to inhibit the activity of FBXL10 wa... | - |
Data from ChEMBL 36 via Core Engine