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

CHEMBL3973808

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(COC)c(C=O)nc32)ncc1C#N

Basic Information

ChEMBL ID CHEMBL3973808
Phase Preclinical
Structure Type MOL
InChI Key UZFAAIFZYUQWGO-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

425.4
MW (Da)
2.32
ALogP
8
HBA
1
HBD
126.7
PSA (Ų)
0.50
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23N5O5
MW 425.45
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.19

Activity Summary

IC50 4 meas. best 7.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 7.7 7.7 20.0 2
Fibroblast growth factor receptor 4
CHEMBL3839
IC50 7.28 7.185 52.0 2

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 3

Data from ChEMBL 36 via Core Engine