Compound Detail
CHEMBL5415883
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Fc1ccc(C(c2ccc(F)cc2)N2CCN(c3ccc(Nc4c5ccccc5nc5ccccc45)cc3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL5415883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PWVMTVYEKUNIRK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
556.7
MW (Da)
8.32
ALogP
4
HBA
1
HBD
31.4
PSA (Ų)
0.21
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 6.15 | 6.15 | 710.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 710.0 | nM | 6.15 | Inhibition of recombinant LSD1 (unknown origin) expressed in Escherichia coli BL... | 36913900 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36913900 | 10.1016/j.ejmech.2023.115255 | Lysine-specific histone demethylase 1A | 2 |
Data from ChEMBL 36 via Core Engine