Compound Detail
CHEMBL2164247
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Basic Information
| ChEMBL ID | CHEMBL2164247 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AEZXJPDCQOVSHX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names
Molecular Properties
174.2
MW (Da)
-0.21
ALogP
3
HBA
1
HBD
60.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.43
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific demethylase 2A CHEMBL1938210 | IC50 | 5.43 | 5.43 | 3700.0 | 1 |
| Histone lysine demethylase PHF8 CHEMBL1938212 | IC50 | 4.94 | 4.94 | 11500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific demethylase 2A | IC50 | = | 3700.0 | nM | 5.43 | Inhibition of human KDM2A expressed in Escherichia coli using methyl lysine pept... | 22724510 |
| Histone lysine demethylase PHF8 | IC50 | = | 11500.0 | nM | 4.94 | Inhibition of human PHF8 expressed in Escherichia coli using methyl lysine pepti... | 22724510 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22724510 | 10.1021/jm300677j | Gamma-butyrobetaine dioxygenase | 1 |
| 22724510 | 10.1021/jm300677j | Egl nine homolog 1 | 1 |
| 22724510 | 10.1021/jm300677j | Hypoxia-inducible factor 1-alpha inhibitor | 1 |
| 22724510 | 10.1021/jm300677j | Lysine-specific demethylase 6B | 1 |
| 22724510 | 10.1021/jm300677j | Lysine-specific demethylase 5C | 1 |
| 22724510 | 10.1021/jm300677j | Lysine-specific demethylase 4E | 1 |
| 22724510 | 10.1021/jm300677j | Unchecked | 1 |
| 22724510 | 10.1021/jm300677j | Histone lysine demethylase PHF8 | 1 |
| 22724510 | 10.1021/jm300677j | Lysine-specific demethylase 2A | 1 |
Data from ChEMBL 36 via Core Engine