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Compound Detail

CHEMBL4279848

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COCCNc1cc(NC(=O)N(CCOC)c2cccc(C=O)n2)ncc1C#N

Basic Information

ChEMBL ID CHEMBL4279848
Phase Preclinical
Structure Type MOL
InChI Key UQGSPLYTJZPPPW-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

398.4
MW (Da)
1.90
ALogP
8
HBA
2
HBD
129.5
PSA (Ų)
0.46
QED
0
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H22N6O4
MW 398.42
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.64

Activity Summary

IC50 4 meas. best 8.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 8.13 7.7667 7.4 3
Fibroblast growth factor receptor 4
CHEMBL3839
IC50 7.04 7.04 91.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32930584 10.1021/acs.jmedchem.0c01019 ADMET 4
29541363 10.1021/acsmedchemlett.7b00485 Fibroblast growth factor receptor 4 2
32930584 10.1021/acs.jmedchem.0c01019 Fibroblast growth factor receptor 4 2
29541363 10.1021/acsmedchemlett.7b00485 No relevant target 1
32930584 10.1021/acs.jmedchem.0c01019 Huh-7 1

Data from ChEMBL 36 via Core Engine