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

CHEMBL4077029

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
COc1ccccc1Nc1ncc2c(n1)N(C1CCN(C(=O)/C=C/CN(C)C)CC1)C(=O)N(c1c(Cl)c(OC)cc(OC)c1Cl)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4077029
Phase Preclinical
Structure Type MOL
InChI Key UCWGZZUXJLIYIK-DHZHZOJOSA-N
7
Targets
7
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

670.6
MW (Da)
5.61
ALogP
9
HBA
1
HBD
112.6
PSA (Ų)
0.28
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H37Cl2N7O5
MW 670.60
Aromatic Rings 3
Heavy Atoms 46
NP-Likeness -0.69

Activity Summary

IC50 7 meas. best 9.04

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 1
CHEMBL3650
 IC50 9.04 9.04 0.9 1
Fibroblast growth factor receptor 2
CHEMBL4142
 IC50 8.56 8.56 2.7 1
Unchecked
CHEMBL612545
 IC50 8.48 8.48 3.3 1
Fibroblast growth factor receptor 3
CHEMBL2742
 IC50 7.94 7.94 11.6 1
SW780
CHEMBL1075595
 IC50 7.56 7.56 27.5 1
NCI-H520
CHEMBL614099
 IC50 7.4 7.4 39.8 1
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 6.42 6.42 383.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 1 IC50 = 0.91 nM 9.04 Inhibition of human recombinant His-tagged FGFR1 cytoplasmic domain (308 to 731 ... 28521156
Fibroblast growth factor receptor 2 IC50 = 2.73 nM 8.56 Inhibition of human recombinant cytoplasmic His-tagged FGFR2 (403 to 822 residue... 28521156
Unchecked IC50 = 3.3 nM 8.48 Antiproliferative activity against human FGFR2-amplified SUM52 cells after 5 day... 28521156
Fibroblast growth factor receptor 3 IC50 = 11.6 nM 7.94 Inhibition of human recombinant His-tagged FGFR3 cytoplasmic domain (399 to 806 ... 28521156
SW780 IC50 = 27.5 nM 7.56 Antiproliferative activity against human FGFR3-amplified SW780 cells after 5 day... 28521156
NCI-H520 IC50 = 39.8 nM 7.4 Antiproliferative activity against human FGFR1-amplified NCI-H520 cells after 7 ... 28521156
Fibroblast growth factor receptor 4 IC50 = 383.0 nM 6.42 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