Compound Detail
CHEMBL5913948
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CN1CCOc2cc(-c3ncc4c(ccn4C[C@@H]4CCNC4)c3-c3ccc(C#N)c(F)c3)ccc21
Basic Information
| ChEMBL ID | CHEMBL5913948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONIIMQSXCDFJLL-GOSISDBHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
467.6
MW (Da)
4.82
ALogP
6
HBA
1
HBD
66.1
PSA (Ų)
0.47
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 8.1 | 8.1 | 8.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 8.0 | nM | 8.1 | LSD1 Activity: Human recombinant LSD1 protein expressed in E. coli cells was pur... | - |
Data from ChEMBL 36 via Core Engine