Compound Detail
CHEMBL5864418
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CN1CCCC(Cn2ccc3c(-c4ccc(C#N)c(F)c4)c(-c4ccc5c(cnn5C)c4)ncc32)CC1
Basic Information
| ChEMBL ID | CHEMBL5864418 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDOHDGXYKCCPDP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
492.6
MW (Da)
6.00
ALogP
6
HBA
0
HBD
62.7
PSA (Ų)
0.31
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 2.1 | nM | 8.68 | LSD1 Activity: Human recombinant LSD1 protein expressed in E. coli cells was pur... | - |
Data from ChEMBL 36 via Core Engine