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

CHEMBL5288865

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
O=C(NCc1ccc(N2CCCC2=O)cc1)c1cc(=O)c2ccccc2o1

Basic Information

ChEMBL ID CHEMBL5288865
Phase Preclinical
Structure Type MOL
InChI Key REAFJZKIZSICLE-UHFFFAOYSA-N
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

362.4
MW (Da)
2.85
ALogP
4
HBA
1
HBD
79.6
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H18N2O4
MW 362.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.23

Activity Summary

IC50 3 meas. best 4.29

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
METTL3/METTL14
CHEMBL4106140
IC50 4.29 4.29 51700.0 1
N6-adenosine-methyltransferase catalytic subunit
CHEMBL4739695
IC50 4.29 4.29 51700.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
35063732 10.1016/j.ejmech.2022.114118 N6-adenosine-methyltransferase catalytic subunit 1
36692498 10.1021/acs.jmedchem.2c01601 METTL3/METTL14 1
38805939 10.1016/j.ejmech.2024.116526 N6-adenosine-methyltransferase catalytic subunit 1

Data from ChEMBL 36 via Core Engine