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

CHEMBL5220764

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[C@@H](Oc1cc(NC(=O)c2cn(CCc3cnn(C)c3)c3cc(Br)c(C=O)nc23)ncc1C#N)c1c(Cl)cncc1Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5220764
Phase Preclinical
Structure Type MOL
InChI Key ZZKZJASJVNSLSZ-OAHLLOKOSA-N
6
Targets
8
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

668.3
MW (Da)
5.95
ALogP
10
HBA
1
HBD
140.6
PSA (Ų)
0.19
QED
2
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H21BrCl2N8O3
MW 668.34
Aromatic Rings 5
Heavy Atoms 42
NP-Likeness -1.38

Activity Summary

IC50 8 meas. best 8.64

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
BaF3
CHEMBL614524
 IC50 8.64 8.1067 2.3 3
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 7.75 7.75 18.0 1
Unchecked
CHEMBL612545
 IC50 7.17 7.17 68.0 1
Hep 3B2
CHEMBL4296437
 IC50 7.14 7.14 72.0 1
Huh-7
CHEMBL614039
 IC50 6.74 6.74 184.0 1
NCI-H1299
CHEMBL612255
 IC50 5.72 5.72 1920.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
BaF3 IC50 = 2.3 nM 8.64 Antiproliferative activity against mouse BaF3 cells transfected with human FGFR4... 36278929
BaF3 IC50 = 8.4 nM 8.08 Antiproliferative activity against mouse BaF3 cells transfected with FGFR4 V550M... 36278929
Fibroblast growth factor receptor 4 IC50 = 18.0 nM 7.75 Inhibition of N-terminal 6His-tagged FGFR4 (unknown origin) using Tyr04 peptide ... 36278929
BaF3 IC50 = 25.0 nM 7.6 Antiproliferative activity against mouse BaF3 cells transfected with FGFR4 V550L... 36278929
Unchecked IC50 = 68.0 nM 7.17 Antiproliferative activity against human JHH7 cells assessed as inhibition of ce... 36278929
Hep 3B2 IC50 = 72.0 nM 7.14 Antiproliferative activity against human Hep3B cells assessed as inhibition of c... 36278929
Huh-7 IC50 = 184.0 nM 6.74 Antiproliferative activity against human Huh-7 cells assessed as inhibition of c... 36278929
NCI-H1299 IC50 = 1920.0 nM 5.72 Antiproliferative activity against human NCI-H1299 cells assessed as inhibition ... 36278929

Literature References

PubMed DOI Target Context # Activities
36278929 10.1021/acs.jmedchem.2c01319 BaF3 3
36278929 10.1021/acs.jmedchem.2c01319 Fibroblast growth factor receptor 4 1
36278929 10.1021/acs.jmedchem.2c01319 Fibroblast growth factor receptor 1 1
36278929 10.1021/acs.jmedchem.2c01319 Fibroblast growth factor receptor 2 1
36278929 10.1021/acs.jmedchem.2c01319 Fibroblast growth factor receptor 3 1
36278929 10.1021/acs.jmedchem.2c01319 Hep 3B2 1
36278929 10.1021/acs.jmedchem.2c01319 NCI-H1299 1
36278929 10.1021/acs.jmedchem.2c01319 Unchecked 1
36278929 10.1021/acs.jmedchem.2c01319 Huh-7 1

Data from ChEMBL 36 via Core Engine