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

CHEMBL4092990

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
C=CC(=O)Nc1ccc(CN(C(=O)Nc2c(Cl)c(OC)cc(OC)c2Cl)c2cc(Nc3ccc(N4CCN(C)CC4)cc3)ncn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4092990
Phase Preclinical
Structure Type MOL
InChI Key SFLKJNSBBVSPFE-UHFFFAOYSA-N
6
Targets
15
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names

Molecular Properties

691.6
MW (Da)
6.66
ALogP
9
HBA
3
HBD
124.2
PSA (Ų)
0.15
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H36Cl2N8O4
MW 691.62
Aromatic Rings 4
Heavy Atoms 48
NP-Likeness -1.08

Activity Summary

IC50 10 meas. best 9.0
EC50 5 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 9.0 8.76 1.0 2
BaF3
CHEMBL614524
 EC50 9.0 8.638 1.0 5
Epidermal growth factor receptor
CHEMBL203
 IC50 7.78 7.575 16.8 2
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 7.68 7.435 21.0 2
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 7.66 7.56 22.0 2
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 7.51 7.45 31.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
BaF3 EC50 = 1.0 nM 9.0 Antiproliferative activity against mouse BaF3 cells harboring wild-type FGFR1 as... 34962782
BaF3 EC50 = 1.0 nM 9.0 Antiproliferative activity against mouse BaF3 cells harboring wild-type FGFR2 as... 34962782
BaF3 EC50 = 1.0 nM 9.0 Antiproliferative activity against mouse BaF3 cells harboring wild-type FGFR3 as... 34962782
BaF3 EC50 = 1.0 nM 9.0 Antiproliferative activity against mouse BaF3 cells harboring wild-type FGFR4 as... 34962782
Fibroblast growth factor receptor 1 IC50 = 1.0 nM 9.0 Inhibition of FGFR1 (unknown origin) 27914362
Fibroblast growth factor receptor 1 IC50 = 3.0 nM 8.52 Inhibition of FGFR1 (unknown origin) by Z'-LYTE Kinase assay 33556787
Epidermal growth factor receptor IC50 = 16.8 nM 7.78 Inhibition of EGFR L858R mutant (unknown origin) 27914362
Fibroblast growth factor receptor 2 IC50 = 21.0 nM 7.68 Inhibition of FGFR2 (unknown origin) by Z'-LYTE Kinase assay 33556787
Fibroblast growth factor receptor 4 IC50 = 22.0 nM 7.66 Inhibition of FGFR4 (unknown origin) 27914362
Fibroblast growth factor receptor 3 IC50 = 31.0 nM 7.51 Inhibition of FGFR3 (unknown origin) by Z'-LYTE Kinase assay 33556787
Fibroblast growth factor receptor 4 IC50 = 35.0 nM 7.46 Inhibition of FGFR4 (unknown origin) by Z'-LYTE Kinase assay 33556787
Fibroblast growth factor receptor 3 IC50 = 41.0 nM 7.39 Inhibition of FGFR3 (unknown origin) 27914362
Epidermal growth factor receptor IC50 = 43.0 nM 7.37 Inhibition of EGFR (unknown origin) by Z'-LYTE Kinase assay 33556787
BaF3 EC50 = 64.0 nM 7.19 Antiproliferative activity against mouse BaF3 cells harboring FGFR2 V564M mutant... 34962782
Fibroblast growth factor receptor 2 IC50 = 64.0 nM 7.19 Inhibition of FGFR2 V564M mutant (unknown origin) 27914362

Literature References

PubMed DOI Target Context # Activities
34962782 10.1021/acs.jmedchem.1c01719 BaF3 5
27914362 10.1016/j.ejmech.2016.11.052 Fibroblast growth factor receptor 2 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
27914362 10.1016/j.ejmech.2016.11.052 Fibroblast growth factor receptor 3 1
27914362 10.1016/j.ejmech.2016.11.052 Fibroblast growth factor receptor 4 1
27914362 10.1016/j.ejmech.2016.11.052 Epidermal growth factor receptor 1
27914362 10.1016/j.ejmech.2016.11.052 Fibroblast growth factor receptor 1 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
33556787 10.1016/j.ejmech.2021.113205 Fibroblast growth factor receptor 1 1
33556787 10.1016/j.ejmech.2021.113205 Fibroblast growth factor receptor 2 1
33556787 10.1016/j.ejmech.2021.113205 Fibroblast growth factor receptor 3 1
33556787 10.1016/j.ejmech.2021.113205 Fibroblast growth factor receptor 4 1
33556787 10.1016/j.ejmech.2021.113205 Epidermal growth factor receptor 1
- 10.6019/EOS300108 HepG2 1

Data from ChEMBL 36 via Core Engine