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Compound Detail

CHEMBL4750281

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COCCOc1cc(NC(=O)N(C)c2ccnc(C#N)n2)ncc1C#N

Basic Information

ChEMBL ID CHEMBL4750281
Phase Preclinical
Structure Type MOL
InChI Key IYVSSQRZIKZEKQ-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

353.3
MW (Da)
1.31
ALogP
8
HBA
1
HBD
137.1
PSA (Ų)
0.77
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N7O3
MW 353.34
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.48

Activity Summary

IC50 2 meas. best 5.93

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3839
IC50 5.93 5.93 1180.0 1
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 5.06 5.06 8700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
32930584 10.1021/acs.jmedchem.0c01019 Fibroblast growth factor receptor 4 2
32930584 10.1021/acs.jmedchem.0c01019 ADMET 1
32930584 10.1021/acs.jmedchem.0c01019 Huh-7 1

Data from ChEMBL 36 via Core Engine