Compound Detail
CHEMBL1615036
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Basic Information
| ChEMBL ID | CHEMBL1615036 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RTGDPYNAIULBPL-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
286.3
MW (Da)
0.53
ALogP
5
HBA
3
HBD
118.2
PSA (Ų)
0.74
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 4E CHEMBL1293226 | IC50 | 6.75 | 6.75 | 180.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.75 | 6.75 | 180.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 180.0 | nM | 6.75 | Inhibition of KDM4E | 21955276 |
| Lysine-specific demethylase 4E | IC50 | = | 180.0 | nM | 6.75 | Inhibition of JMJD2E catalytic domain by mass spectrophotometric analysis | 22975593 |
| Lysine-specific demethylase 4E | IC50 | = | 180.0 | nM | 6.75 | Inhibition of JMJD2E (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21955276 | 10.1021/jm201048w | Unchecked | 1 |
| 22975593 | 10.1016/j.ejmech.2012.08.010 | Lysine-specific demethylase 4E | 1 |
| - | 10.1039/C1MD00199J | Lysine-specific demethylase 4E | 1 |
Data from ChEMBL 36 via Core Engine