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Compound Detail

CHEMBL5219150

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COCCNc1cc(NC(=O)c2cn(C)c3ccc(C=O)nc23)ncc1C(F)(F)F

Basic Information

ChEMBL ID CHEMBL5219150
Phase Preclinical
Structure Type MOL
InChI Key UFSUBLMYPKPVPR-UHFFFAOYSA-N
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

421.4
MW (Da)
3.11
ALogP
7
HBA
2
HBD
98.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H18F3N5O3
MW 421.38
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.35

Activity Summary

IC50 3 meas. best 6.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 6.44 6.44 362.0 1
BaF3
CHEMBL614524
IC50 6.42 6.42 380.0 1
NCI-H1299
CHEMBL612255
IC50 4.02 4.02 94900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
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

Data from ChEMBL 36 via Core Engine