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

CHEMBL4069509

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
COc1cc(OC)c(Cl)c(N2Cc3cnc(NC(C)C)nc3N(C3CCN(C(=O)/C=C/CN(C)C)CC3)C2=O)c1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4069509
Phase Preclinical
Structure Type MOL
InChI Key QBOPLHQHJDUIPC-BQYQJAHWSA-N
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

606.6
MW (Da)
4.68
ALogP
8
HBA
1
HBD
103.4
PSA (Ų)
0.41
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H37Cl2N7O4
MW 606.56
Aromatic Rings 2
Heavy Atoms 41
NP-Likeness -0.60

Activity Summary

IC50 7 meas. best 9.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
 IC50 9.19 9.19 0.7 1
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 8.97 8.97 1.1 1
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 8.58 8.58 2.6 1
NCI-H520
CHEMBL614099
 IC50 8.31 8.31 4.9 1
SW780
CHEMBL1075595
 IC50 7.91 7.91 12.3 1
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 7.89 7.89 12.9 1
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 6.53 6.53 296.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 0.65 nM 9.19 Antiproliferative activity against human FGFR2-amplified SUM52 cells after 5 day... 28521156
Fibroblast growth factor receptor 1 IC50 = 1.07 nM 8.97 Inhibition of human recombinant His-tagged FGFR1 cytoplasmic domain (308 to 731 ... 28521156
Fibroblast growth factor receptor 2 IC50 = 2.61 nM 8.58 Inhibition of human recombinant cytoplasmic His-tagged FGFR2 (403 to 822 residue... 28521156
NCI-H520 IC50 = 4.91 nM 8.31 Antiproliferative activity against human FGFR1-amplified NCI-H520 cells after 7 ... 28521156
SW780 IC50 = 12.3 nM 7.91 Antiproliferative activity against human FGFR3-amplified SW780 cells after 5 day... 28521156
Fibroblast growth factor receptor 3 IC50 = 12.9 nM 7.89 Inhibition of human recombinant His-tagged FGFR3 cytoplasmic domain (399 to 806 ... 28521156
Fibroblast growth factor receptor 4 IC50 = 296.0 nM 6.53 Inhibition of human recombinant His-tagged FGFR4 cytoplasmic domain (781 to 1338... 28521156

Literature References

PubMed DOI Target Context # Activities
28521156 10.1016/j.ejmech.2017.04.049 Unchecked 1
28521156 10.1016/j.ejmech.2017.04.049 SW780 1
28521156 10.1016/j.ejmech.2017.04.049 NCI-H520 1
28521156 10.1016/j.ejmech.2017.04.049 Fibroblast growth factor receptor 4 1
28521156 10.1016/j.ejmech.2017.04.049 Fibroblast growth factor receptor 3 1
28521156 10.1016/j.ejmech.2017.04.049 Fibroblast growth factor receptor 2 1
28521156 10.1016/j.ejmech.2017.04.049 Fibroblast growth factor receptor 1 1

Data from ChEMBL 36 via Core Engine