Compound Detail
CHEMBL5845060
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL5845060 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBVRKKHXMUVJKA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
386.6
MW (Da)
4.82
ALogP
2
HBA
1
HBD
32.3
PSA (Ų)
0.73
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A CHEMBL6136 | IC50 | 8.39 | 8.39 | 4.1 | 1 |
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 4.74 | 4.74 | 18010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Lysine-specific histone demethylase 1A | IC50 | = | 4.08 | nM | 8.39 | LSD1 In Vitro Activity Assay: Screening method: lysine-specific demethylase 1 (L... | - |
| Amine oxidase [flavin-containing] B | IC50 | = | 18010.0 | nM | 4.74 | MAOA and MAOB In Vitro Activity Experiments: Screening method: Monoamine oxidase... | - |
Data from ChEMBL 36 via Core Engine