Compound Detail
CHEMBL6022335
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Cc1cc(C)n(-c2ccc(-c3ncc4c(ccn4C[C@@H]4CCNC4)c3-c3ccc(C#N)c(F)c3)cc2)n1
Basic Information
| ChEMBL ID | CHEMBL6022335 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CABWMIGVYLCWOI-OAQYLSRUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
490.6
MW (Da)
5.79
ALogP
6
HBA
1
HBD
71.5
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 40.0 | nM | 7.4 | LSD1 Activity: Human recombinant LSD1 protein expressed in E. coli cells was pur... | - |
Data from ChEMBL 36 via Core Engine