Compound Detail
CHEMBL5883145
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Nc1ccccc1NC(=O)c1ccc(CCCN2CCC(CNC3CC3c3ccc(C(=O)N4CCCCC4)cc3)CC2)cc1
Basic Information
| ChEMBL ID | CHEMBL5883145 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BTDHDEHECHSRTF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
593.8
MW (Da)
5.94
ALogP
5
HBA
3
HBD
90.7
PSA (Ų)
0.24
QED
2
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 21.0 | nM | 7.68 | TR-FRET Assay for LSD1: LSD1 enzyme was produced in house. Tranylcypromine (TCP)... | - |
Data from ChEMBL 36 via Core Engine