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Compound Detail

CHEMBL5218768

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CN(C)CCNc1cc(NC(=O)c2cn(C)c3ccc(C=O)nc23)ncc1C#N

Basic Information

ChEMBL ID CHEMBL5218768
Phase Preclinical
Structure Type MOL
InChI Key YXZVQAWBCVCCOI-UHFFFAOYSA-N
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

391.4
MW (Da)
1.88
ALogP
8
HBA
2
HBD
115.9
PSA (Ų)
0.59
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N7O2
MW 391.44
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.52

Activity Summary

IC50 4 meas. best 8.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 8.62 8.62 2.4 1
BaF3
CHEMBL614524
IC50 7.37 7.37 43.0 1
NCI-H1299
CHEMBL612255
IC50 5.49 5.49 3240.0 1
Hep 3B2
CHEMBL4296437
IC50 4.92 4.92 12000.0 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