Compound Detail
CHEMBL5794835
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CN[C@@H]1CCCN(C(=O)c2cc(-c3ccc(C#N)c(F)c3)n(-c3ccc(N4CC[C@H](OC)C4)cc3F)n2)C1
Basic Information
| ChEMBL ID | CHEMBL5794835 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QYKBNQCKAQHEDF-IRLDBZIGSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
3.74
ALogP
7
HBA
1
HBD
86.4
PSA (Ų)
0.53
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 22.0 | nM | 7.66 | Biochemical Inhibition Activity Assay: The biochemical inhibition activity of th... | - |
Data from ChEMBL 36 via Core Engine