Compound Detail
CHEMBL5940519
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CS(=O)(=O)N1CCN(C(=O)[C@H](CCN[C@@H]2C[C@H]2c2ccc(F)cc2)NC(=O)c2ccc(Cl)c(Cl)c2)CC1
Basic Information
| ChEMBL ID | CHEMBL5940519 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RPXVSAGJFRPJAW-AJSBUHFISA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
571.5
MW (Da)
2.87
ALogP
5
HBA
2
HBD
98.8
PSA (Ų)
0.48
QED
1
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 5.16 | 4.9 | 7000.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 7000.0 | nM | 5.16 | In Vitro Assay: Briefly, bulk histones, histone peptides or nucleosomes are incu... | - |
| Lysine-specific histone demethylase 1A | IC50 | = | 7000.0 | nM | 5.16 | Biological Activity Assay: The KDM1A demethylase enzyme activity can obtained fr... | - |
| Lysine-specific histone demethylase 1A | IC50 | = | 23000.0 | nM | 4.64 | In Vitro Assay: Briefly, bulk histones, histone peptides or nucleosomes are incu... | - |
| Lysine-specific histone demethylase 1A | IC50 | = | 23000.0 | nM | 4.64 | Biological Activity Assay: The KDM1A demethylase enzyme activity can obtained fr... | - |
Data from ChEMBL 36 via Core Engine