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

CHEMBL5220620

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
COCCNc1cc(NC(=O)c2cn(CCN3CCOCC3)c3cc(Br)c(C=O)nc23)ncc1C#N

Basic Information

ChEMBL ID CHEMBL5220620
Phase Preclinical
Structure Type MOL
InChI Key FNGUXMMZSCMHDU-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

556.4
MW (Da)
2.52
ALogP
10
HBA
2
HBD
134.4
PSA (Ų)
0.29
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H26BrN7O4
MW 556.42
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.59

Activity Summary

IC50 4 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
BaF3
CHEMBL614524
IC50 8.15 8.15 7.0 1
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 7.75 7.75 18.0 1
Hep 3B2
CHEMBL4296437
IC50 6.52 6.52 303.0 1
NCI-H1299
CHEMBL612255
IC50 5.15 5.15 7050.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36278929 10.1021/acs.jmedchem.2c01319 Fibroblast growth factor receptor 4 1
36278929 10.1021/acs.jmedchem.2c01319 Fibroblast growth factor receptor 1 1
36278929 10.1021/acs.jmedchem.2c01319 Fibroblast growth factor receptor 2 1
36278929 10.1021/acs.jmedchem.2c01319 Fibroblast growth factor receptor 3 1
36278929 10.1021/acs.jmedchem.2c01319 BaF3 1
36278929 10.1021/acs.jmedchem.2c01319 Hep 3B2 1
36278929 10.1021/acs.jmedchem.2c01319 NCI-H1299 1

Data from ChEMBL 36 via Core Engine