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Compound Detail

CHEMBL5218465

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COCCNc1cc(NC(=O)c2cn(C)c3ccc(C=O)nc23)ncc1C#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5218465
Phase Preclinical
Structure Type MOL
InChI Key DHHIDWWAQIGOHL-UHFFFAOYSA-N
4
Targets
8
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names

Molecular Properties

378.4
MW (Da)
1.96
ALogP
8
HBA
2
HBD
121.9
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18N6O3
MW 378.39
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.52

Activity Summary

IC50 8 meas. best 8.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
 IC50 8.0 8.0 10.0 2
BaF3
CHEMBL614524
 IC50 7.93 7.925 11.8 2
NCI-H1299
CHEMBL612255
 IC50 5.89 5.885 1300.0 2
Hep 3B2
CHEMBL4296437
 IC50 4.84 4.84 14300.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Fibroblast growth factor receptor 4 IC50 = 10.0 nM 8.0 Inhibition of N-terminal 6His-tagged FGFR4 (unknown origin) using Tyr04 peptide ... 36278929
Fibroblast growth factor receptor 4 IC50 = 10.0 nM 8.0 Inhibition of N-terminal 6His tagged FGFR4 (unknown origin) expressed in Escheri... 38348819
BaF3 IC50 = 11.8 nM 7.93 Antiproliferative activity against mouse BaF3 cells harboring wild type FGFR4 as... 38348819
BaF3 IC50 = 12.0 nM 7.92 Antiproliferative activity against mouse BaF3 cells transfected with human FGFR4... 36278929
NCI-H1299 IC50 = 1300.0 nM 5.89 Antiproliferative activity against FGFR4 independent human NCI-H1299 cells asses... 38348819
NCI-H1299 IC50 = 1320.0 nM 5.88 Antiproliferative activity against human NCI-H1299 cells assessed as inhibition ... 36278929
Hep 3B2 IC50 = 14300.0 nM 4.84 Antiproliferative activity against human Hep3B cells assessed as inhibition of c... 36278929
Hep 3B2 IC50 = 14300.0 nM 4.84 Antiproliferative activity against human Hep3B cells assessed as inhibition of c... 38348819

Literature References

PubMed DOI Target Context # Activities
38348819 10.1021/acs.jmedchem.3c01810 BaF3 2
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 BaF3 1
36278929 10.1021/acs.jmedchem.2c01319 Hep 3B2 1
36278929 10.1021/acs.jmedchem.2c01319 NCI-H1299 1
38348819 10.1021/acs.jmedchem.3c01810 Fibroblast growth factor receptor 4 1
38348819 10.1021/acs.jmedchem.3c01810 Hep 3B2 1
38348819 10.1021/acs.jmedchem.3c01810 NCI-H1299 1

Data from ChEMBL 36 via Core Engine