Compound Detail
CHEMBL5900560
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CN[C@@H]1CCCN(C(=O)c2cc(-c3ccc(C#N)cc3)n(-c3ccc(C4CC4)cc3)n2)C1
Basic Information
| ChEMBL ID | CHEMBL5900560 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OTFMWCLFJQASFK-JOCHJYFZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
425.5
MW (Da)
4.11
ALogP
5
HBA
1
HBD
74.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 29.0 | nM | 7.54 | Biochemical Inhibition Activity Assay: The biochemical inhibition activity of th... | - |
Data from ChEMBL 36 via Core Engine