Compound Detail
CHEMBL5861547
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O=C(N[C@@H](CCCN[C@@H]1C[C@H]1c1ccc(F)cc1)C(=O)N1CCNCC1)c1ccc(-n2ccnn2)cc1
Basic Information
| ChEMBL ID | CHEMBL5861547 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCKOGDBVVLMPMD-CCDWMCETSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
505.6
MW (Da)
1.86
ALogP
7
HBA
3
HBD
104.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 5.3 | 5.1067 | 5000.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 5000.0 | nM | 5.3 | In Vitro Assay: Briefly, bulk histones, histone peptides or nucleosomes are incu... | - |
| Lysine-specific histone demethylase 1A | IC50 | = | 5000.0 | nM | 5.3 | Biological Activity Assay: The KDM1A demethylase enzyme activity can obtained fr... | - |
| Lysine-specific histone demethylase 1A | IC50 | = | 19000.0 | nM | 4.72 | In Vitro Assay: Briefly, bulk histones, histone peptides or nucleosomes are incu... | - |
Data from ChEMBL 36 via Core Engine