Compound Detail
CHEMBL3134141
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Basic Information
| ChEMBL ID | CHEMBL3134141 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LCAKFHXFWLOMOH-UHFFFAOYSA-N |
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
230.3
MW (Da)
2.75
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.77
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.89
Kd 2 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lethal(3)malignant brain tumor-like protein 3 CHEMBL1287623 | IC50 | 4.89 | 4.89 | 13000.0 | 1 |
| Lethal(3)malignant brain tumor-like protein 3 CHEMBL1287623 | Kd | 4.36 | 4.36 | 44000.0 | 1 |
| Lethal(3)malignant brain tumor-like protein 1 CHEMBL1287622 | Kd | 4.32 | 4.32 | 48000.0 | 1 |
| MBT domain-containing protein 1 CHEMBL1287625 | IC50 | 4.24 | 4.24 | 58000.0 | 1 |
| Lethal(3)malignant brain tumor-like protein 1 CHEMBL1287622 | IC50 | 4.05 | 4.05 | 90000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lethal(3)malignant brain tumor-like protein 3 | IC50 | = | 13000.0 | nM | 4.89 | Inhibition of His-tagged L3MBTL3 (unknown origin) using H4K20Me2 as substrate in... | 24466405 |
| Lethal(3)malignant brain tumor-like protein 3 | Kd | = | 44000.0 | nM | 4.36 | Binding affinity to L3MBTL3 (unknown origin) by isothermal titration calorimetri... | 24466405 |
| Lethal(3)malignant brain tumor-like protein 1 | Kd | = | 48000.0 | nM | 4.32 | Binding affinity to L3MBTL1 (unknown origin) by isothermal titration calorimetri... | 24466405 |
| MBT domain-containing protein 1 | IC50 | = | 58000.0 | nM | 4.24 | Inhibition of MBTD1 (130 to 566) (unknown origin) expressed in Escherichia coli ... | 24466405 |
| Lethal(3)malignant brain tumor-like protein 1 | IC50 | = | 90000.0 | nM | 4.05 | Inhibition of His-tagged L3MBTL1 (unknown origin) using H4K20Me1 as substrate in... | 24466405 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24466405 | 10.1039/c3md00197k | Lethal(3)malignant brain tumor-like protein 1 | 2 |
| 24466405 | 10.1039/c3md00197k | Lethal(3)malignant brain tumor-like protein 3 | 2 |
| 24466405 | 10.1039/c3md00197k | PHD finger protein 23 | 1 |
| 24466405 | 10.1039/c3md00197k | Lysine-specific demethylase 5A | 1 |
| 24466405 | 10.1039/c3md00197k | E3 ubiquitin-protein ligase UHRF1 | 1 |
| 24466405 | 10.1039/c3md00197k | Chromobox protein homolog 7 | 1 |
| 24466405 | 10.1039/c3md00197k | TP53-binding protein 1 | 1 |
| 24466405 | 10.1039/c3md00197k | MBT domain-containing protein 1 | 1 |
Data from ChEMBL 36 via Core Engine