Compound Detail
CHEMBL3183531
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Basic Information
| ChEMBL ID | CHEMBL3183531 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WBKCKEHGXNWYMO-UHFFFAOYSA-N |
22
Targets
30
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
417.5
MW (Da)
3.51
ALogP
7
HBA
1
HBD
80.2
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 28 meas. best 5.97
EC50 2 meas. best 4.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SW480 CHEMBL612544 | IC50 | 5.97 | 5.97 | 1080.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.75 | 5.75 | 1770.0 | 1 |
| Lysine-specific demethylase 2B CHEMBL3779760 | IC50 | 5.68 | 5.68 | 2100.0 | 1 |
| Lysine-specific demethylase 6B CHEMBL1938211 | IC50 | 5.51 | 5.2167 | 3100.0 | 3 |
| Unchecked CHEMBL612545 | IC50 | 5.51 | 5.51 | 3100.0 | 1 |
| Lysine-specific demethylase 4B CHEMBL3313832 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
| Histone lysine demethylase PHF8 CHEMBL1938212 | IC50 | 5.38 | 5.38 | 4200.0 | 1 |
| Lysine-specific demethylase 4C CHEMBL6175 | IC50 | 5.26 | 5.2 | 5500.0 | 2 |
| Lysine-specific demethylase 6A CHEMBL2069164 | IC50 | 5.18 | 5.1367 | 6600.0 | 3 |
| Lysine-specific demethylase 3B CHEMBL3784906 | IC50 | 5.16 | 5.16 | 6900.0 | 1 |
| Lysine-specific demethylase 4A CHEMBL5896 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
| Lysine-specific demethylase 3A CHEMBL1938209 | IC50 | 5.07 | 5.07 | 8500.0 | 1 |
| Macrophage CHEMBL5314320 | IC50 | 5.05 | 5.05 | 9000.0 | 2 |
| Lysine-specific demethylase 5B CHEMBL3774295 | IC50 | 5.01 | 5.01 | 9700.0 | 2 |
| T47D CHEMBL614361 | IC50 | 4.88 | 4.88 | 13210.0 | 1 |
| U-937 CHEMBL612794 | IC50 | 4.87 | 4.87 | 13500.0 | 1 |
| HT-29 CHEMBL384 | IC50 | 4.83 | 4.83 | 14930.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.83 | 4.83 | 14700.0 | 1 |
| Lysine-specific demethylase 5C CHEMBL2163176 | IC50 | 4.82 | 4.82 | 15000.0 | 1 |
| Methylcytosine dioxygenase TET1 CHEMBL4523402 | EC50 | 4.8 | 4.8 | 15848.9 | 2 |
| MCF7 CHEMBL387 | IC50 | 4.78 | 4.78 | 16440.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.67 | 4.67 | 21650.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine