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

CHEMBL4781882

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
COCCOc1cc(NC(=O)N2CCCc3cc(Br)c(C=O)nc32)ncc1C#N

Basic Information

ChEMBL ID CHEMBL4781882
Phase Preclinical
Structure Type MOL
InChI Key MJFNOJIJYDCXJL-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

460.3
MW (Da)
2.93
ALogP
7
HBA
1
HBD
117.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18BrN5O4
MW 460.29
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.32

Activity Summary

IC50 2 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 8.7 8.7 2.0 1
Fibroblast growth factor receptor 4
CHEMBL3839
IC50 8.54 8.54 2.9 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32930584 10.1021/acs.jmedchem.0c01019 ADMET 5
32930584 10.1021/acs.jmedchem.0c01019 Fibroblast growth factor receptor 4 2

Data from ChEMBL 36 via Core Engine