Compound Detail
CHEMBL1435274
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Basic Information
| ChEMBL ID | CHEMBL1435274 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KPTUKANGPPVLMD-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
189.2
MW (Da)
1.64
ALogP
3
HBA
2
HBD
70.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 5.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 4A CHEMBL5896 | IC50 | 5.77 | 5.77 | 1700.0 | 1 |
| Lysine-specific demethylase 4E CHEMBL1293226 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.62 | 5.62 | 2400.0 | 1 |
| Egl nine homolog 1 CHEMBL5697 | IC50 | 4.85 | 4.85 | 14000.0 | 1 |
| Hypoxia-inducible factor 1-alpha inhibitor CHEMBL5909 | IC50 | 4.68 | 4.68 | 21000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 4A | IC50 | = | 1700.0 | nM | 5.77 | Inhibition of KDM4A | 21955276 |
| Lysine-specific demethylase 4E | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of N-terminal His-6-tagged human JMJD2E (1 to 337 residues) expressed... | - |
| Unchecked | IC50 | = | 2400.0 | nM | 5.62 | Inhibition of KDM4E | 21955276 |
| Egl nine homolog 1 | IC50 | = | 14000.0 | nM | 4.85 | Inhibition of PHD2 | 21955276 |
| Hypoxia-inducible factor 1-alpha inhibitor | IC50 | = | 21000.0 | nM | 4.68 | Inhibition of FIH | 21955276 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21955276 | 10.1021/jm201048w | Lysine-specific demethylase 4A | 2 |
| 21955276 | 10.1021/jm201048w | Unchecked | 1 |
| 21955276 | 10.1021/jm201048w | Egl nine homolog 1 | 1 |
| 21955276 | 10.1021/jm201048w | Hypoxia-inducible factor 1-alpha inhibitor | 1 |
| - | 10.1039/C1MD00199J | Lysine-specific demethylase 4E | 1 |
Data from ChEMBL 36 via Core Engine