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

CHEMBL5196280

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
CNC(=O)c1cccc(-c2cnc3cc(-c4cnn(C)c4)c(OC4CCOC4)nn23)c1

Basic Information

ChEMBL ID CHEMBL5196280
Phase Preclinical
Structure Type MOL
InChI Key ZZWQREKFRLSPQU-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

418.5
MW (Da)
2.32
ALogP
8
HBA
1
HBD
95.6
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N6O3
MW 418.46
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.43

Activity Summary

IC50 3 meas. best 8.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 3
CHEMBL2742
IC50 8.62 8.62 2.4 1
Fibroblast growth factor receptor 3
CHEMBL4066
IC50 7.38 7.38 42.0 1
Fibroblast growth factor receptor 1
CHEMBL3650
IC50 6.93 6.93 117.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36356320 10.1021/acs.jmedchem.2c01366 Fibroblast growth factor receptor 3 2
36356320 10.1021/acs.jmedchem.2c01366 Fibroblast growth factor receptor 1 1
36356320 10.1021/acs.jmedchem.2c01366 Unchecked 1

Data from ChEMBL 36 via Core Engine