Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL5570898

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
CCCCN(C)CCN(CC)C(=O)CNCc1cc(C(=O)OCC)ccn1

Basic Information

ChEMBL ID CHEMBL5570898
Phase Preclinical
Structure Type MOL
InChI Key BYEHKJQZHIERMZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

378.5
MW (Da)
1.93
ALogP
6
HBA
1
HBD
74.8
PSA (Ų)
0.53
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H34N4O3
MW 378.52
Aromatic Rings 1
Heavy Atoms 27
NP-Likeness -1.55

Activity Summary

IC50 1 meas. best 6.66

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 5B
CHEMBL3774295
IC50 6.66 6.66 218.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
38168630 10.1016/j.bmc.2023.117579 Unchecked 5
38168630 10.1016/j.bmc.2023.117579 Lysine-specific demethylase 5B 1
38168630 10.1016/j.bmc.2023.117579 ADMET 1
38168630 10.1016/j.bmc.2023.117579 No relevant target 1

Data from ChEMBL 36 via Core Engine