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Compound Detail

CHEMBL3893959

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COCCOc1cc(NC(=O)N2CCCCc3ccc(C=O)nc32)ncc1C#N

Basic Information

ChEMBL ID CHEMBL3893959
Phase Preclinical
Structure Type MOL
InChI Key ZGHWCZVWPOCEJO-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.4
MW (Da)
2.56
ALogP
7
HBA
1
HBD
117.4
PSA (Ų)
0.59
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21N5O4
MW 395.42
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.34

Activity Summary

IC50 3 meas. best 6.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Fibroblast growth factor receptor 4
CHEMBL3973
IC50 6.76 6.55 175.0 3

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
29541363 10.1021/acsmedchemlett.7b00485 Fibroblast growth factor receptor 4 2

Data from ChEMBL 36 via Core Engine