Compound Detail
CHEMBL5970037
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CC(C)(O)Cn1nnc2cc(-c3ccc(C(=O)N4[C@@H]5CC[C@H]4[C@@H](N)C5)cc3-c3ccc(C#N)c(F)c3)c(F)c(Cl)c21
Basic Information
| ChEMBL ID | CHEMBL5970037 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WYSCVEPJHRRJLZ-DPQOWFAMSA-N |
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
577.0
MW (Da)
5.04
ALogP
7
HBA
2
HBD
121.1
PSA (Ų)
0.34
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 10.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 10.22 | 10.02 | 0.1 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 0.06 | nM | 10.22 | Inhibitory Activity Assay: The conditions for measuring inhibitory activity of c... | - |
| Lysine-specific histone demethylase 1A | IC50 | = | 0.06 | nM | 10.22 | Inhibitory Activity (In Vitro): The conditions for measuring inhibitory activity... | - |
| Lysine-specific histone demethylase 1A | IC50 | = | 0.15 | nM | 9.82 | Inhibitory Activity Assay: The conditions for measuring inhibitory activity of c... | - |
| Lysine-specific histone demethylase 1A | IC50 | = | 0.15 | nM | 9.82 | Inhibitory Activity (In Vitro): The conditions for measuring inhibitory activity... | - |
Data from ChEMBL 36 via Core Engine