Compound Detail
CHEMBL5812475
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CCN1CCN(C(=O)[C@H](CCCN[C@@H]2C[C@H]2c2ccc(F)cc2)NC(=O)c2ccc(C#N)cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL5812475 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZPNNCIQIBIAREF-KKUQBAQOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
491.6
MW (Da)
2.89
ALogP
5
HBA
2
HBD
88.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 5.4 | 5.4 | 4000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 4000.0 | nM | 5.4 | In Vitro Assay: Briefly, bulk histones, histone peptides or nucleosomes are incu... | - |
| Lysine-specific histone demethylase 1A | IC50 | = | 4000.0 | nM | 5.4 | Biological Activity Assay: The KDM1A demethylase enzyme activity can obtained fr... | - |
Data from ChEMBL 36 via Core Engine