Compound Detail
CHEMBL5747746
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CC1CC(Cn2ccc3c(-c4ccc(C#N)cc4)c(-c4ccc5c(cnn5C)c4)ncc32)CC(C)N1
Basic Information
| ChEMBL ID | CHEMBL5747746 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RVXRHNOXLUCTTM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
474.6
MW (Da)
5.91
ALogP
6
HBA
1
HBD
71.5
PSA (Ų)
0.35
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.79
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.79 | 7.79 | 16.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 16.2 | nM | 7.79 | LSD1 Activity: Human recombinant LSD1 protein expressed in E. coli cells was pur... | - |
Data from ChEMBL 36 via Core Engine