Compound Detail
CHEMBL1486366
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Basic Information
| ChEMBL ID | CHEMBL1486366 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IBWIAHQQJVGIDZ-UHFFFAOYSA-N |
2
Targets
6
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
268.3
MW (Da)
3.69
ALogP
3
HBA
2
HBD
45.1
PSA (Ų)
0.76
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.96
EC50 1 meas. best 5.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 4E CHEMBL1293226 | IC50 | 5.96 | 5.96 | 1100.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.43 | 4.4775 | 3700.0 | 4 |
| Unchecked CHEMBL612545 | EC50 | 5.31 | 5.31 | 4930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 4E | IC50 | = | 1100.0 | nM | 5.96 | Inhibition of N-terminal His-6-tagged human JMJD2E (1 to 337 residues) expressed... | - |
| Unchecked | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of HIV-1 His6-tagged integrase interaction to FLAG-tagged LEDGF/p75 p... | 23445471 |
| Unchecked | EC50 | = | 4930.0 | nM | 5.31 | PUBCHEM_BIOASSAY: A cytotoxicity screen of small molecule inhibitors of the PhoP... | - |
| Unchecked | IC50 | = | 45730.0 | nM | 4.34 | PUBCHEM_BIOASSAY: A Counter Screen to identiry small molecule screen for inhibit... | - |
| Unchecked | IC50 | = | 76480.0 | nM | 4.12 | PUBCHEM_BIOASSAY: A screen for inhibitors of the PhoP region in Salmonella Typhi... | - |
| Unchecked | IC50 | = | 96460.0 | nM | 4.02 | PUBCHEM_BIOASSAY: A small molecule screen for inhibitors of the PhoP region in S... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23445471 | 10.1021/jm301632e | Unchecked | 2 |
| 23445471 | 10.1021/jm301632e | Human immunodeficiency virus type 1 integrase | 2 |
| - | 10.6019/CHEMBL2094269 | Trypanosoma brucei brucei | 1 |
| 23445471 | 10.1021/jm301632e | MT4 | 1 |
| 23445471 | 10.1021/jm301632e | Human immunodeficiency virus | 1 |
| 23445471 | 10.1021/jm301632e | LNCaP | 1 |
| - | 10.1039/C1MD00199J | Lysine-specific demethylase 4E | 1 |
Data from ChEMBL 36 via Core Engine