Compound Detail
CHEMBL5866802
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CC(C)(C)c1ccc(-n2nc(C(=O)N3CCC[C@@H](N)C3)cc2-c2ccc(C#N)c(F)c2)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL5866802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YVKQJHWMUVVURT-LJQANCHMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
4.55
ALogP
5
HBA
1
HBD
87.9
PSA (Ų)
0.62
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 21.0 | nM | 7.68 | Biochemical Inhibition Activity Assay: The biochemical inhibition activity of th... | - |
Data from ChEMBL 36 via Core Engine